Petrosamide C (CHEBI:224339)

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CHEBI:224339 - Petrosamide C

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ChEBI ID	CHEBI:224339
ChEBI Name	Petrosamide C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C39H52N6O10
Net Charge	0
Average Mass	764.877
Monoisotopic Mass	764.37449
SMILES	CC(=O)N[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O[C@@H]1C
InChI	InChI=1S/C39H52N6O10/c1-20(2)31-36(51)41-28(18-24-9-13-26(47)14-10-24)34(49)42-29(19-25-11-15-27(48)16-12-25)39(54)55-22(5)33(40-23(6)46)37(52)44-32(21(3)4)38(53)45-17-7-8-30(45)35(50)43-31/h9-16,20-22,28-33,47-48H,7-8,17-19H2,1-6H3,(H,40,46)(H,41,51)(H,42,49)(H,43,50)(H,44,52)/t22-,28+,29+,30+,31-,32+,33+/m1/s1
InChIKey	WPYFSGHUMJLLHC-JDDTWBSZSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (32662266)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Petrosamide C (CHEBI:224339) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
N-[(3S,6S,7R,10S,13S,16R,19S)-10,13-bis[(4-hydroxyphenyl)methyl]-7-methyl-2,5,9,12,15,18-hexaoxo-3,16-di(propan-2-yl)-8-oxa-1,4,11,14,17-pentazabicyclo[17.3.0]docosan-6-yl]acetamide

Manual Xrefs	Databases
86596094	ChemSpider