CHEBI:209480 - MyxochromideA

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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 MyxochromideA
ChEBI ID CHEBI:209480
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H63N7O9
Net Charge 0
Average Mass 834.028
Monoisotopic Mass 833.46873
InChI InChI=1S/C44H63N7O9/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-36(52)50(7)38-32(6)60-37(53)26-25-33(39(45)54)48-40(55)30(4)46-42(57)35-23-22-27-51(35)44(59)34(28-29(2)3)49-41(56)31(5)47-43(38)58/h9-21,24,29-35,38H,8,22-23,25-28H2,1-7H3,(H2,45,54)(H,46,57)(H,47,58)(H,48,55)(H,49,56)/b10-9+,12-11+,14-13+,16-15+,18-17+,20-19+,24-21+/t30?,31?,32-,33+,34+,35+,38+/m1/s1
InChIKey XBMKGMHZBZQOAE-ZOTHMMPWSA-N
SMILES O=C1N2[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N)CCC(O[C@@H]([C@@H](C(NC(C(N[C@H]1CC(C)C)=O)C)=O)N(C(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/CC)C)C)=O)C)CCC2
Metabolite of Species Details
Myxococcus virescens (NCBI:txid83456) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing MyxochromideA (CHEBI:209480) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,9S,10R,15S,21S)-9-[[(2E,4E,6E,8E,10E,12E,14E)-heptadeca-2,4,6,8,10,12,14-heptaenoyl]-methylamino]-6,10,18-trimethyl-3-(2-methylpropyl)-2,5,8,12,17,20-hexaoxo-11-oxa-1,4,7,16,19-pentazabicyclo[19.3.0]tetracosane-15-carboxamide
Manual Xref Database
78442623 ChemSpider
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