Piceamycin N-acetylcysteine adduct (CHEBI:204278)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:204278 - Piceamycin N-acetylcysteine adduct

Take structure to advanced search

ChEBI ID	CHEBI:204278
ChEBI Name	Piceamycin N-acetylcysteine adduct
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H38N2O7S
Net Charge	0
Average Mass	594.730
Monoisotopic Mass	594.23997
SMILES	CC(=O)N[C@@H](CSC1/C=C\C=C/C=C\C=CC(C)CNC(=O)/C=C\C=C/C=C\C2(C)CC(=O)C(O)=C2C(=O)C1)C(=O)O
InChI	InChI=1S/C32H38N2O7S/c1-22-14-10-6-4-5-7-11-15-24(42-21-25(31(40)41)34-23(2)35)18-26(36)29-30(39)27(37)19-32(29,3)17-13-9-8-12-16-28(38)33-20-22/h4-17,22,24-25,39H,18-21H2,1-3H3,(H,33,38)(H,34,35)(H,40,41)/b6-4-,7-5-,9-8-,14-10?,15-11-,16-12-,17-13-/t22?,24?,25-,32?/m0/s1
InChIKey	MRJJUYFTHHDJQK-ZVNMCIGWSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies (ncbitaxon:1931)	-	PubMed (19609293)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Piceamycin N-acetylcysteine adduct (CHEBI:204278) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
(2R)-2-acetamido-3-[[(2Z,4Z,6Z,14Z,16Z,18Z)-24-hydroxy-1,11-dimethyl-8,22,25-trioxo-9-azabicyclo[21.3.0]hexacosa-2,4,6,12,14,16,18,23-octaen-20-yl]sulanyl]propanoic acid