Anabaenolysin A (CHEBI:213451)

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CHEBI:213451 - Anabaenolysin A

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ChEBI ID	CHEBI:213451
ChEBI Name	Anabaenolysin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H38N4O8
Net Charge	0
Average Mass	558.632
Monoisotopic Mass	558.26896
SMILES	CC/C=C/C=C/CC/C=C/C=C/C=C/CC1NC(=O)CNC(=O)CNC(=O)C(O)C2OC(=O)CC2NC(=O)C1O
InChI	InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
InChIKey	XQWGCUIJOHQMPI-FLYMKIDMSA-N

Species of Metabolite	Component	Source	Comments
Anabaena (ncbitaxon:1163)	-	PubMed (22829929)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Anabaenolysin A (CHEBI:213451) is a cyclic peptide (CHEBI:23449)

IUPAC Name
4,14-dihydroxy-5-[(2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaenyl]-16-oxa-2,6,9,12-tetrazabicyclo[13.3.0]octadecane-3,7,10,13,17-pentone