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CHEBI:194456 - AP21967

Default Structure
ChEBI IDCHEBI:194456
ChEBI NameAP21967
Stars
Definition(1R,9S,12S,14S,15R,16Z,18R,19S,20S,21R,23S,24Z,26Z,28Z,30S,32S,35R)-1,14,18,20-tetrahydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,29,35-hexamethyl-30-(7-methyl-1H-indol-3-yl)-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10-trione
Last Modified28 March 2025
SubmitterKalpana P
DownloadsMolfile
FormulaC59H88N2O12
Net Charge0
Average Mass1017.355
Monoisotopic Mass1016.63373
SMILES[H][C@@]1(C[C@@H](C)[C@]2([H])C[C@H](O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)[C@@H](O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](c3cnc4c(C)cccc34)C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)CC[C@@H](O)[C@H](OC)C1
InChIInChI=1S/C59H88N2O12/c1-34-17-12-11-13-18-35(2)45(46-33-60-52-36(3)19-16-20-44(46)52)31-43-24-22-41(8)59(69,73-43)56(66)57(67)61-26-15-14-21-47(61)58(68)72-50(38(5)29-42-23-25-48(62)51(30-42)70-9)32-49(63)37(4)28-40(7)54(65)55(71-10)53(64)39(6)27-34/h11-13,16-20,28,33-34,37-39,41-43,45,47-51,53-55,60,62-65,69H,14-15,21-27,29-32H2,1-10H3/b13-11+,17-12+,35-18+,40-28+/t34-,37-,38-,39-,41-,42+,43+,45+,47+,48-,49+,50+,51-,53+,54-,55+,59-/m1/s1
InChIKeyPSLNMAUXUJLNBW-OUPLBGLBSA-N
ChEBI Ontology
Outgoing Relation(s)
AP21967 (CHEBI:194456) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
AP 21967ChEBI
AP-21967ChEBI
C16-AiRapChEBI
C16-(S)-7-methylindolerapamycinChEBI
Citations