methyl geldanamycinate (CHEBI:207929)

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CHEBI:207929 - methyl geldanamycinate

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ChEBI ID	CHEBI:207929
ChEBI Name	methyl geldanamycinate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H44N2O10
Net Charge	0
Average Mass	592.686
Monoisotopic Mass	592.29960
SMILES	COC(=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=C(N)C1=O)OC
InChI	InChI=1S/C30H44N2O10/c1-16(12-20-26(35)21(31)15-22(33)28(20)40-7)13-24(39-6)25(34)18(3)14-19(4)27(42-30(32)37)23(38-5)11-9-10-17(2)29(36)41-8/h9-11,14-16,18,23-25,27,34H,12-13,31H2,1-8H3,(H2,32,37)/b11-9-,17-10+,19-14+/t16-,18-,23-,24-,25+,27-/m1/s1
InChIKey	HRKSVRIGRTWRMY-HVFGXHJVSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces hygroscopicus (ncbitaxon:1912)	-	PubMed (15376554)

ChEBI Ontology

Outgoing Relation(s)
	methyl geldanamycinate (CHEBI:207929) is a p-quinones (CHEBI:25830)
	methyl geldanamycinate (CHEBI:207929) is a benzoquinones (CHEBI:22729)

IUPAC Name
methyl (2E,4Z,6R,7R,8E,10R,11S,12R,14R)-15-(5-amino-2-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-7-carbamoyloxy-11-hydroxy-6,12-dimethoxy-2,8,10,14-tetramethylpentadeca-2,4,8-trienoate

Manual Xrefs	Databases
78442619	ChemSpider