Lavendomycin (CHEBI:222643)

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CHEBI:222643 - Lavendomycin

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ChEBI ID	CHEBI:222643
ChEBI Name	Lavendomycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H50N10O8
Net Charge	0
Average Mass	666.781
Monoisotopic Mass	666.38131
SMILES	C/C=C(\NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCCN1C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CCN=C(N)N)[C@H](C)N)C(=O)N[C@H](CO)C(=O)O
InChI	InChI=1S/C29H50N10O8/c1-4-17(23(41)36-18(14-40)28(46)47)35-24(42)19-9-7-13-38(19)26(44)20-8-5-6-12-39(20)27(45)22(16(3)30)37-25(43)21(31)15(2)10-11-34-29(32)33/h4,15-16,18-22,40H,5-14,30-31H2,1-3H3,(H,35,42)(H,36,41)(H,37,43)(H,46,47)(H4,32,33,34)/b17-4-/t15-,16-,18+,19+,20-,21-,22+/m0/s1
InChIKey	ZLIFOKMGWXMKQW-RZQNIXAHSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces lavendulae subsp. brasilicus (ncbitaxon:1522108)	-	PubMed (3839501)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Lavendomycin (CHEBI:222643) is a peptide (CHEBI:16670)

IUPAC Name
(2R)-2-[[(Z)-2-[[(2R)-1-[(2S)-1-[(2R,3S)-3-amino-2-[[(2S,3S)-2-amino-5-(diaminomethylideneamino)-3-methylpentanoyl]amino]butanoyl]piperidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]but-2-enoyl]amino]-3-hydroxypropanoic acid

Manual Xrefs	Databases
78443026	ChemSpider