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CHEBI:219485 - Mccrearamycin D

ChEBI IDCHEBI:219485
ChEBI NameMccrearamycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H50N2O14
Net Charge0
Average Mass698.763
Monoisotopic Mass698.32620
SMILESCOC(=O)/C(C)=C/C=C\[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@@H](O)[C@H](C[C@H](C)CC1=C(OC)[C@](O)(C(=O)OC)[C@H](NC(=O)CO)C1=O)OC
InChIInChI=1S/C33H50N2O14/c1-17(13-21-26(39)28(35-24(37)16-36)33(43,29(21)46-7)31(41)48-9)14-23(45-6)25(38)19(3)15-20(4)27(49-32(34)42)22(44-5)12-10-11-18(2)30(40)47-8/h10-12,15,17,19,22-23,25,27-28,36,38,43H,13-14,16H2,1-9H3,(H2,34,42)(H,35,37)/b12-10-,18-11+,20-15+/t17-,19+,22+,23+,25-,27+,28-,33+/m1/s1
InChIKeyNVENZSYPSZWQKH-PCWWSUDASA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies AD-23-14 (ncbitaxon:1571120) - PubMed (28140487)
ChEBI Ontology
Outgoing Relation(s)
Mccrearamycin D (CHEBI:219485) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl (1S,5S)-3-[(2R,4S,5R,6S,7E,9S,10S,11Z,13E)-9-carbamoyloxy-5-hydroxy-4,10,15-trimethoxy-2,6,8,14-tetramethyl-15-oxopentadeca-7,11,13-trienyl]-1-hydroxy-5-[(2-hydroxyacetyl)amino]-2-methoxy-4-oxocyclopent-2-ene-1-carboxylate
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78440637ChemSpider