Heptarhizin (CHEBI:220025)

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CHEBI:220025 - Heptarhizin

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ChEBI ID	CHEBI:220025
ChEBI Name	Heptarhizin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H53N7O10
Net Charge	0
Average Mass	731.848
Monoisotopic Mass	731.38539
SMILES	CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
InChI	InChI=1S/C35H53N7O10/c1-16(2)14-25(39-22(9)43)33(49)42-28-21(8)52-35(51)27(17(3)4)41-31(47)20(7)37-29(45)18(5)36-30(46)19(6)38-32(48)26(40-34(28)50)15-23-10-12-24(44)13-11-23/h10-13,16-21,25-28,44H,14-15H2,1-9H3,(H,36,46)(H,37,45)(H,38,48)(H,39,43)(H,40,50)(H,41,47)(H,42,49)/t18-,19+,20+,21+,25-,26+,27-,28-/m0/s1
InChIKey	HRNMZVVUGNGSBC-GZIXTQCFSA-N

Species of Metabolite	Component	Source	Comments
Rhizopus microsporus (ncbitaxon:58291)	-	PubMed (30113119)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Heptarhizin (CHEBI:220025) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(2S)-2-acetamido-N-[(3S,6R,9S,12R,15R,18S,19R)-15-[(4-hydroxyphenyl)methyl]-6,9,12,19-tetramethyl-2,5,8,11,14,17-hexaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-4-methylpentanamide

Manual Xrefs	Databases
78439539	ChemSpider