CHEBI:199454 - Antascomicin D

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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 D
ChEBI ID CHEBI:199454
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H55NO9
Net Charge 0
Average Mass 645.834
Monoisotopic Mass 645.38768
InChI InChI=1S/C36H55NO9/c1-22-10-7-5-6-8-12-28(38)25(4)32-18-14-24(3)36(44,46-32)33(41)34(42)37-19-9-11-27(37)35(43)45-31(17-13-22)23(2)20-26-15-16-29(39)30(40)21-26/h7-8,10,12,22-27,29-32,39-40,44H,5-6,9,11,13-21H2,1-4H3/b10-7-,12-8+/t22-,23-,24-,25+,26+,27+,29-,30-,31+,32+,36-/m1/s1
InChIKey MEIQVKKSRNVISN-PNALVKLHSA-N
SMILES O=C1N2[C@H](C(=O)O[C@H]([C@@H](C[C@H]3C[C@@H](O)[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)CCC2
Metabolite of Species Details
Micromonospora (NCBI:txid1873) See: PubMed
ChEBI Ontology
Outgoing Antascomicin D (CHEBI:199454) is a lactam (CHEBI:24995)
Antascomicin D (CHEBI:199454) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,8S,11S,14S,15E,19E,22R,23S,26R)-11-[(2R)-1-[(1S,3R,4R)-3,4-dihydroxycyclohexyl]propan-2-yl]-1-hydroxy-14,22,26-trimethyl-10,27-dioxa-4-azatricyclo[21.3.1.04,8]heptacosa-15,19-diene-2,3,9,21-tetrone
Manual Xref Database
78439603 ChemSpider
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