Hectoramide (CHEBI:227680)

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CHEBI:227680 - Hectoramide

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ChEBI ID	CHEBI:227680
ChEBI Name	Hectoramide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H35N3O5
Net Charge	0
Average Mass	421.538
Monoisotopic Mass	421.25767
SMILES	COc1ccc(C[C@H](O)C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(N)=O)C(C)C)C(C)C)cc1
InChI	InChI=1S/C22H35N3O5/c1-13(2)18(20(23)27)24(5)22(29)19(14(3)4)25(6)21(28)17(26)12-15-8-10-16(30-7)11-9-15/h8-11,13-14,17-19,26H,12H2,1-7H3,(H2,23,27)/t17-,18-,19-/m0/s1
InChIKey	JVWZZAVZXFCXBV-FHWLQOOXSA-N

Species of Metabolite	Component	Source	Comments
Moorena producens JHB (ncbitaxon:1454205)	-	PubMed (26222584)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Hectoramide (CHEBI:227680) is a dipeptide (CHEBI:46761)

IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-hydroxy-3-(4-methoxyphenyl)propanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanamide

Manual Xrefs	Databases
40256831	ChemSpider