Boholamide A (CHEBI:225916)

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CHEBI:225916 - Boholamide A

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ChEBI ID	CHEBI:225916
ChEBI Name	Boholamide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H39N3O6
Net Charge	0
Average Mass	465.591
Monoisotopic Mass	465.28389
SMILES	C=C1C=CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]([C@H](C)C[C@@H](C)CCC)[C@H](OC)C(=O)N1
InChI	InChI=1S/C24H39N3O6/c1-8-9-15(4)12-16(5)21-22(32-7)23(30)26-17(6)10-11-18(28)25-13-19(29)27-20(14(2)3)24(31)33-21/h10-11,14-16,20-22H,6,8-9,12-13H2,1-5,7H3,(H,25,28)(H,26,30)(H,27,29)/t15-,16+,20-,21-,22-/m0/s1
InChIKey	KRASFEIPFGADRT-LHXUZLEUSA-N

Species of Metabolite	Component	Source	Comments
Nocardiopsisspecies (ncbitaxon:310350)	-	PubMed (32186874)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Boholamide A (CHEBI:225916) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,14S,15S)-14-methoxy-15-[(2R,4S)-4-methylheptan-2-yl]-11-methylidene-3-propan-2-yl-1-oxa-4,7,12-triazacyclopentadec-9-ene-2,5,8,13-tetrone