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

Details

Stereochemistry ABSOLUTE
Molecular Formula C68H105N4O35P
Molecular Weight 1569.5409
Optical Activity UNSPECIFIED
Defined Stereocenters 26 / 26
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of MOENOMYCIN A12

SMILES

C[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=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)O[C@@H]2CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)C(=O)NC6=C(O)CCC6=O

InChI

InChIKey=PYDMUWFKWNOPAW-GPLJXFLKSA-N
InChI=1S/C68H105N4O35P/c1-29(2)14-13-16-30(3)17-18-32(5)21-24-68(9,10)23-12-11-15-31(4)22-25-95-40(60(88)89)28-97-108(93,94)107-66-58(55(106-67(69)92)52(86)57(104-66)61(90)91)105-63-43(71-35(8)75)46(80)54(39(100-63)27-96-64-50(84)47(81)44(78)38(26-73)99-64)102-62-42(70-34(7)74)45(79)53(33(6)98-62)101-65-51(85)48(82)49(83)56(103-65)59(87)72-41-36(76)19-20-37(41)77/h12,14,17,22-23,33,38-40,42-58,62-66,73,76,78-86H,5,11,13,15-16,18-21,24-28H2,1-4,6-10H3,(H2,69,92)(H,70,74)(H,71,75)(H,72,87)(H,88,89)(H,90,91)(H,93,94)/b23-12+,30-17+,31-22+/t33-,38-,39-,40-,42-,43-,44-,45-,46-,47+,48+,49-,50-,51-,52-,53-,54-,55+,56+,57+,58-,62+,63+,64-,65-,66-/m1/s1

HIDE SMILES / InChI

Molecular Formula C68H105N4O35P
Molecular Weight 1569.5409
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 26 / 26
E/Z Centers 3
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:37:00 GMT 2025
Edited
by admin
on Mon Mar 31 18:37:00 GMT 2025
Record UNII
74M106OBAD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MOENOMYCIN A12
Preferred Name English
Classification Tree Code System Code
NCI_THESAURUS C258
Created by admin on Mon Mar 31 18:37:00 GMT 2025 , Edited by admin on Mon Mar 31 18:37:00 GMT 2025
Code System Code Type Description
PUBCHEM
76966771
Created by admin on Mon Mar 31 18:37:00 GMT 2025 , Edited by admin on Mon Mar 31 18:37:00 GMT 2025
PRIMARY
NCI_THESAURUS
C90686
Created by admin on Mon Mar 31 18:37:00 GMT 2025 , Edited by admin on Mon Mar 31 18:37:00 GMT 2025
PRIMARY
FDA UNII
74M106OBAD
Created by admin on Mon Mar 31 18:37:00 GMT 2025 , Edited by admin on Mon Mar 31 18:37:00 GMT 2025
PRIMARY