CHEBI:204278 - Piceamycin N-acetylcysteine adduct

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Piceamycin N-acetylcysteine adduct
ChEBI ID CHEBI:204278
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H38N2O7S
Net Charge 0
Average Mass 594.720
Monoisotopic Mass 594.23997
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
SMILES S(C1C=CC=CC=CC=CC(CNC(C=CC=CC=CC2(C(C(C1)=O)=C(O)C(=O)C2)C)=O)C)C[C@H](NC(=O)C)C(=O)O
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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