Spumigin 654 (CHEBI:221536)

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CHEBI:221536 - Spumigin 654

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ChEBI ID	CHEBI:221536
ChEBI Name	Spumigin 654
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H42N6O9
Net Charge	0
Average Mass	654.721
Monoisotopic Mass	654.30133
SMILES	CC(=O)OC(Cc1ccc(O)cc1)C(=O)NC(CCc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O
InChI	InChI=1S/C32H42N6O9/c1-19(39)47-27(18-21-8-13-23(41)14-9-21)29(43)36-24(15-10-20-6-11-22(40)12-7-20)30(44)38-17-3-5-26(38)28(42)37-25(31(45)46)4-2-16-35-32(33)34/h6-9,11-14,24-27,40-41H,2-5,10,15-18H2,1H3,(H,36,43)(H,37,42)(H,45,46)(H4,33,34,35)
InChIKey	PAHUSUOEHURDBG-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Nodulariaspeciesmigena (ncbitaxon:70799)	-	PubMed (27834904)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Spumigin 654 (CHEBI:221536) is a peptide (CHEBI:16670)

IUPAC Name
2-[[1-[2-[[2-acetyloxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid