U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C62H95N4O30P
Molecular Weight 1407.4003
Optical Activity UNSPECIFIED
Defined Stereocenters 21 / 21
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of MOENOMYCIN C

SMILES

C[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](OP(O)(=O)OC[C@@H](OC\C=C(/C)CC\C=C\C(C)(C)CCC(=C)C\C=C(/C)CCC=C(C)C)C(O)=O)O[C@@H]([C@H](O)[C@@H]3OC(N)=O)C(O)=O)[C@H](NC(C)=O)[C@H]2O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)C(=O)NC5=C(O)CCC5=O

InChI

InChIKey=ZEZYCFPDLMTORO-DKZCLELOSA-N
InChI=1S/C62H95N4O30P/c1-28(2)14-13-16-29(3)17-18-31(5)21-24-62(9,10)23-12-11-15-30(4)22-25-86-38(55(79)80)27-87-97(84,85)96-60-53(50(95-61(63)83)47(77)52(93-60)56(81)82)94-58-41(65-34(8)69)43(73)49(37(26-67)89-58)91-57-40(64-33(7)68)42(72)48(32(6)88-57)90-59-46(76)44(74)45(75)51(92-59)54(78)66-39-35(70)19-20-36(39)71/h12,14,17,22-23,32,37-38,40-53,57-60,67,70,72-77H,5,11,13,15-16,18-21,24-27H2,1-4,6-10H3,(H2,63,83)(H,64,68)(H,65,69)(H,66,78)(H,79,80)(H,81,82)(H,84,85)/b23-12+,29-17+,30-22+/t32-,37-,38-,40-,41-,42-,43-,44+,45-,46-,47-,48-,49-,50+,51+,52+,53-,57+,58+,59-,60-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MOENOMYCIN C
Preferred Name English
Classification Tree Code System Code
NCI_THESAURUS C258
Created by admin on Mon Mar 31 18:49:12 GMT 2025 , Edited by admin on Mon Mar 31 18:49:12 GMT 2025
Code System Code Type Description
PUBCHEM
76971782
Created by admin on Mon Mar 31 18:49:12 GMT 2025 , Edited by admin on Mon Mar 31 18:49:12 GMT 2025
PRIMARY
FDA UNII
48Q13VP1MD
Created by admin on Mon Mar 31 18:49:12 GMT 2025 , Edited by admin on Mon Mar 31 18:49:12 GMT 2025
PRIMARY
NCI_THESAURUS
C90687
Created by admin on Mon Mar 31 18:49:12 GMT 2025 , Edited by admin on Mon Mar 31 18:49:12 GMT 2025
PRIMARY