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CHEBI:209480 - MyxochromideA

ChEBI IDCHEBI:209480
ChEBI NameMyxochromideA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H63N7O9
Net Charge0
Average Mass834.028
Monoisotopic Mass833.46873
SMILESCC/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N(C)[C@@H]1C(=O)NC(C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)NC(C)C(=O)N[C@H](C(N)=O)CCC(=O)O[C@@H]1C
InChIInChI=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
InChIKeyXBMKGMHZBZQOAE-ZOTHMMPWSA-N
Species of MetaboliteComponentSourceComments
Myxococcus virescens (ncbitaxon:83456) - PubMed (25855820)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
78442623ChemSpider