Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.7.1
Substance Class Chemical
Record UNII
Q3606FDE0B
Record Status Validated
Record Version
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Details

Stereochemistry ABSOLUTE
Molecular Formula C68H106N11O15
Molecular Weight 1317.6339
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0
Created by admin on Sun Jun 27 00:33:50 EDT 2021
Edited by GUEST on Wed Jul 21 15:50:54 EDT 2021
Structure of VEDOTIN FRAGMENT

Systematic Names:

  • None recorded

SMILES

[H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@@]1([H])[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)C2=CC=CC=C2)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN4C(=O)CC([He])C4=O)C(C)C)C=C3)C(C)C

InChI

XGKXJHHJOCJJQH-PBDKSEAZSA-N
InChI=1S/C68H106HeN11O15/c1-15-42(8)58(51(93-13)37-54(83)79-35-23-27-50(79)60(94-14)43(9)61(85)72-44(10)59(84)46-24-18-16-19-25-46)77(11)66(90)56(40(4)5)76-64(88)57(41(6)7)78(12)68(92)95-38-45-29-31-47(32-30-45)73-62(86)49(26-22-33-71-67(70)91)74-63(87)55(39(2)3)75-52(81)28-20-17-21-34-80-53(82)36-48(69)65(80)89/h16,18-19,24-25,29-32,39-44,48-51,55-60,84H,15,17,20-23,26-28,33-38H2,1-14H3,(H,72,85)(H,73,86)(H,74,87)(H,75,81)(H,76,88)(H3,70,71,91)/t42-,43+,44+,48?,49-,50-,51+,55-,56-,57-,58-,59+,60+/m0/s1/i69+2
Name Type Language Details Access References
VEDOTIN FRAGMENT
Common Name
English  
VEDOTIN
Domain Jurisdiction Naming Organization
drug  
USAN  
USAN  
Official Name
English  
VEDOTIN [USAN]
Common Name
English  
VEDOTIN RADICAL
Common Name
English  
VEDOTIN (FRAGMENT)
Common Name
English  
PAB-MMAE
Code
English  
CONJUGATED FORM OF MC-VC-PAB-MMAE
Common Name
English  
Classification Tree Code System Code Access References
NCI_THESAURUS C67422
Created by admin on Sun Jun 27 00:33:52 EDT 2021 , Edited by admin on Sun Jun 27 00:33:52 EDT 2021
Code System Code Type Description Access References
ChEMBL
CHEMBL2364667
Created by admin on Sun Jun 27 00:33:52 EDT 2021 , Edited by admin on Sun Jun 27 00:33:52 EDT 2021
PRIMARY
NCI_THESAURUS
C152842
Created by admin on Sun Jun 27 00:33:52 EDT 2021 , Edited by admin on Sun Jun 27 00:33:52 EDT 2021
PRIMARY
Related Record Type Details Access References
CONJUGATE->CONJUGATE COMPONENT
none
none
Mediator Substance Details
none
Created by admin on Sun Jun 27 00:33:52 EDT 2021 , Edited by admin on Sun Jun 27 00:33:52 EDT 2021
CONJUGATE->CONJUGATE COMPONENT
none
none
Mediator Substance Details
none
Created by admin on Sun Jun 27 00:33:52 EDT 2021 , Edited by admin on Sun Jun 27 00:33:52 EDT 2021
PARENT -> DERIVATIVE
none
none
Mediator Substance Details
none
Created by admin on Sun Jun 27 00:33:53 EDT 2021 , Edited by admin on Sun Jun 27 00:33:53 EDT 2021
CONJUGATE->CONJUGATE COMPONENT
none
none
Mediator Substance Details
none
Created by admin on Sun Jun 27 00:33:52 EDT 2021 , Edited by admin on Sun Jun 27 00:33:52 EDT 2021
CONJUGATE->CONJUGATE COMPONENT
none
none
Mediator Substance Details
none
Created by admin on Sun Jun 27 00:33:53 EDT 2021 , Edited by admin on Sun Jun 27 00:33:53 EDT 2021
CONJUGATE->CONJUGATE COMPONENT
none
none
Mediator Substance Details
none
Created by admin on Sun Jun 27 00:33:53 EDT 2021 , Edited by admin on Sun Jun 27 00:33:53 EDT 2021
CONJUGATE -> TOXIN
none
none
Mediator Substance Details
none
Created by admin on Sun Jun 27 00:33:53 EDT 2021 , Edited by admin on Sun Jun 27 00:33:53 EDT 2021
DERIVATIVE -> PARENT
none
none
Mediator Substance Details
none
Created by admin on Sun Jun 27 00:33:53 EDT 2021 , Edited by admin on Sun Jun 27 00:33:53 EDT 2021
CONJUGATE->CONJUGATE COMPONENT
none
none
Mediator Substance Details
none
Created by admin on Sun Jun 27 00:33:53 EDT 2021 , Edited by admin on Sun Jun 27 00:33:53 EDT 2021
MOLECULAR FRAGMENT
none
Mediator Substance Details
none
Created by admin on Sun Jun 27 00:33:53 EDT 2021 , Edited by admin on Sun Jun 27 00:33:53 EDT 2021
CONJUGATE->CONJUGATE COMPONENT
none
none
Mediator Substance Details
none
Created by admin on Sun Jun 27 00:33:52 EDT 2021 , Edited by admin on Sun Jun 27 00:33:52 EDT 2021
CONJUGATED ANTIGEN -> CONJUGATE COMPONENT
none
none
Mediator Substance Details
none
Created by admin on Sun Jun 27 00:33:53 EDT 2021 , Edited by admin on Sun Jun 27 00:33:53 EDT 2021
CONJUGATE -> TOXIN
none
none
Mediator Substance Details
none
Created by admin on Sun Jun 27 00:33:53 EDT 2021 , Edited by admin on Sun Jun 27 00:33:53 EDT 2021
CONJUGATE->CONJUGATE COMPONENT
none
none
Mediator Substance Details
none
Created by admin on Sun Jun 27 00:33:53 EDT 2021 , Edited by admin on Sun Jun 27 00:33:53 EDT 2021
CONJUGATE->CONJUGATE COMPONENT
none
none
Mediator Substance Details
none
Created by admin on Sun Jun 27 00:33:53 EDT 2021 , Edited by admin on Sun Jun 27 00:33:53 EDT 2021
Note Access References
Imported record has some validation issues and should not be considered authoratiative at this time
none
[Validation]ERROR:Public substances require a public defintional reference.  Please add one.
[Validation]WARNING:Structure Definition needs at least 1 reference
Created Sun Jun 27 00:33:50 EDT 2021
Created By admin
Last Edited Sun Jun 27 00:33:50 EDT 2021
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File Access
1 VEDOTIN [USAN] SRS_LOCATOR
2 USAN COUN 2012 USANCOUN NOMEN PUBLIC_DOMAIN_RELEASE
3 dump-public-2021-06-23_UPDATED.gsrs BATCH_IMPORT Sun Jun 27 00:33:50 EDT 2021
4 SYSTEM
5 USAN COUN 2013 SRS NOMEN
6 USAN COUN SRS NOMEN PUBLIC_DOMAIN_RELEASE
7 http://www.ama-assn.org/resources/doc/usan/vedotin.pdf SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED
8 GSRS System-generated Validation messages VALIDATION_MESSAGE Sun Jun 27 00:33:50 EDT 2021
9 SRS CODE IMPORT SRS NOMEN Fri Apr 28 14:43:09 EDT 2017
10 SRS import [Q3606FDE0B] SRS NOMEN Fri Apr 28 14:43:09 EDT 2017
11 NCIT SYSTEM
12 USP DICTIONARY 2010 SRS NOMEN
13 Assumed or asserted SYSTEM
14 CHEMBL SRS NOMEN
15 USP DICTIONARY 2014 SRS NOMEN
16 USAN COUN 2015 SRS NOMEN

Molecular Formula C68H106N11O15
Molecular Weight 1317.6339
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED