Hapalosin E (CHEBI:221966)

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CHEBI:221966 - Hapalosin E

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ChEBI ID	CHEBI:221966
ChEBI Name	Hapalosin E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H41NO6
Net Charge	0
Average Mass	475.626
Monoisotopic Mass	475.29339
SMILES	CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC)OC(=O)[C@H]1C
InChI	InChI=1S/C27H41NO6/c1-5-7-8-9-13-16-24-19(3)27(32)34-23(6-2)26(31)28(4)21(22(29)18-25(30)33-24)17-20-14-11-10-12-15-20/h10-12,14-15,19,21-24,29H,5-9,13,16-18H2,1-4H3/t19-,21-,22+,23-,24+/m0/s1
InChIKey	AZBCVXGNHJUBLD-SMQFJCFBSA-N

Species of Metabolite	Component	Source	Comments
Fischerellaspecies PCC 9431 (ncbitaxon:1173023)	-	PubMed (33599093)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Hapalosin E (CHEBI:221966) is a 3-hydroxy carboxylic acid (CHEBI:61355)

IUPAC Name
(2S,5S,6R,10R,11S)-5-benzyl-2-ethyl-10-heptyl-6-hydroxy-4,11-dimethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione