Chitinovorin A (CHEBI:224965)

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CHEBI:224965 - Chitinovorin A

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ChEBI ID	CHEBI:224965
ChEBI Name	Chitinovorin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H41N9O11S
Net Charge	0
Average Mass	687.733
Monoisotopic Mass	687.26462
SMILES	C[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)[C@H](O)CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@](NC=O)(NC(=O)CCC[C@@H](N)C(=O)O)[C@H]2SC1
InChI	InChI=1S/C26H41N9O11S/c1-12(27)20(40)33-15(5-3-7-31-25(29)30)16(37)8-18(39)46-9-13-10-47-24-26(32-11-36,23(45)35(24)19(13)22(43)44)34-17(38)6-2-4-14(28)21(41)42/h11-12,14-16,24,37H,2-10,27-28H2,1H3,(H,32,36)(H,33,40)(H,34,38)(H,41,42)(H,43,44)(H4,29,30,31)/t12-,14+,15-,16+,24+,26+/m0/s1
InChIKey	QIKMSWPGMFAWFV-IMEJHETLSA-N

Species of Metabolite	Component	Source	Comments
Flavobacterium (ncbitaxon:237)	-	PubMed (6549002)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Chitinovorin A (CHEBI:224965) is a peptide (CHEBI:16670)

IUPAC Name
(6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-[[(3R,4S)-4-[[(2S)-2-aminopropanoyl]amino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-ormamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Manual Xrefs	Databases
78443271	ChemSpider