Aminobenzoate C (CHEBI:211790)

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CHEBI:211790 - Aminobenzoate C

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ChEBI ID	CHEBI:211790
ChEBI Name	Aminobenzoate C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H23NO5
Net Charge	0
Average Mass	321.373
Monoisotopic Mass	321.15762
SMILES	CC[C@@H](Cc1ccc(NC(C)=O)c(O)c1)[C@@H](O)C/C=C/C(=O)O
InChI	InChI=1S/C17H23NO5/c1-3-13(15(20)5-4-6-17(22)23)9-12-7-8-14(16(21)10-12)18-11(2)19/h4,6-8,10,13,15,20-21H,3,5,9H2,1-2H3,(H,18,19)(H,22,23)/b6-4+/t13-,15-/m0/s1
InChIKey	PLAXVPYBGNWOPG-VZFYUFDISA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	DOI (10.1177/1934578X19861791)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Aminobenzoate C (CHEBI:211790) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(E,5S,6S)-6-[(4-acetamido-3-hydroxyphenyl)methyl]-5-hydroxyoct-2-enoic acid