Petrosamide A (CHEBI:224329)

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CHEBI:224329 - Petrosamide A

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ChEBI ID	CHEBI:224329
ChEBI Name	Petrosamide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C40H54N6O10
Net Charge	0
Average Mass	778.904
Monoisotopic Mass	778.39014
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)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O[C@@H]1C
InChI	InChI=1S/C40H54N6O10/c1-21(2)32-38(53)45(7)31(20-26-12-16-28(49)17-13-26)36(51)42-29(19-25-10-14-27(48)15-11-25)40(55)56-23(5)34(41-24(6)47)37(52)44-33(22(3)4)39(54)46-18-8-9-30(46)35(50)43-32/h10-17,21-23,29-34,48-49H,8-9,18-20H2,1-7H3,(H,41,47)(H,42,51)(H,43,50)(H,44,52)/t23-,29+,30+,31+,32+,33+,34+/m1/s1
InChIKey	QKJWXWKNCRRUMC-FJSUNWRGSA-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 A (CHEBI:224329) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
N-[(3S,6S,7R,10S,13S,16S,19S)-10,13-bis[(4-hydroxyphenyl)methyl]-7,14-dimethyl-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
86596092	ChemSpider