Pipalamycin (CHEBI:202237)

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CHEBI:202237 - Pipalamycin

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ChEBI ID	CHEBI:202237
ChEBI Name	Pipalamycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C39H66N8O12
Net Charge	0
Average Mass	839.001
Monoisotopic Mass	838.48002
SMILES	CCC1OC(O)(C(C)(O)C(=O)NC2C(=O)N3NCCCC3C(=O)N(O)C(C)C(=O)NCC(=O)N3NCCCC3C(=O)NC(C)C(=O)OC2C(C)C)CCC1CCC(C)C
InChI	InChI=1S/C39H66N8O12/c1-9-28-25(15-14-21(2)3)16-17-39(56,59-28)38(8,55)37(54)44-30-31(22(4)5)58-36(53)23(6)43-33(50)26-12-10-18-41-45(26)29(48)20-40-32(49)24(7)47(57)34(51)27-13-11-19-42-46(27)35(30)52/h21-28,30-31,41-42,55-57H,9-20H2,1-8H3,(H,40,49)(H,43,50)(H,44,54)
InChIKey	ORTXNXVKTPOBSS-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (11918058)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Pipalamycin (CHEBI:202237) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
2-[6-ethyl-2-hydroxy-5-(3-methylbutyl)oxan-2-yl]-2-hydroxy-N-(7-hydroxy-6,20-dimethyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl)propanamide

Manual Xrefs	Databases
8503621	ChemSpider