CHEBI:225262 - Antascomicin C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Antascomicin C
ChEBI ID CHEBI:225262
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H59NO10
Net Charge 0
Average Mass 689.887
Monoisotopic Mass 689.41390
InChI InChI=1S/C38H59NO10/c1-23-12-8-6-7-9-14-29(40)26(4)32-20-16-25(3)38(46,49-32)35(43)36(44)39-21-11-10-13-28(39)37(45)48-31(19-15-23)24(2)22-27-17-18-30(41)34(47-5)33(27)42/h8-9,12,14,23-28,30-34,41-42,46H,6-7,10-11,13,15-22H2,1-5H3/b12-8-,14-9+/t23-,24-,25-,26+,27+,28+,30-,31+,32+,33+,34+,38-/m1/s1
InChIKey WQOGIWKBLAOFFT-CYLGHVJJSA-N
SMILES O=C1N2[C@H](C(=O)O[C@H]([C@@H](C[C@H]3[C@H](O)[C@@H](OC)[C@H](O)CC3)C)CC[C@@H](C=CCCC=CC([C@@H]([C@H]4O[C@](C1=O)(O)[C@@H](CC4)C)C)=O)C)CCCC2
Metabolite of Species Details
Micromonospora (NCBI:txid1873) See: PubMed
ChEBI Ontology
Outgoing Antascomicin C (CHEBI:225262) is a lactam (CHEBI:24995)
Antascomicin C (CHEBI:225262) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,9S,12S,15S,16E,20E,23R,24S,27R)-12-[(2R)-1-[(1S,2S,3S,4R)-2,4-dihydroxy-3-methoxycyclohexyl]propan-2-yl]-1-hydroxy-15,23,27-trimethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacosa-16,20-diene-2,3,10,22-tetrone
Manual Xref Database
78439818 ChemSpider
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