CHEBI:224271 - Detoxin C1

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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 Detoxin C1
ChEBI ID CHEBI:224271
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C25H35N3O8
Net Charge 0
Average Mass 505.568
Monoisotopic Mass 505.24242
InChI InChI=1S/C25H35N3O8/c1-14(2)22(26)24(33)28-11-10-19(35-16(4)30)23(28)20(13-21(31)32)36-25(34)18(27-15(3)29)12-17-8-6-5-7-9-17/h5-9,14,18-20,22-23H,10-13,26H2,1-4H3,(H,27,29)(H,31,32)/t18-,19+,20-,22-,23-/m0/s1
InChIKey WVEVNNJWNJDGSX-QWCYLASJSA-N
SMILES O=C(O[C@H]([C@H]1N(C(=O)[C@@H](N)C(C)C)CC[C@H]1OC(=O)C)CC(=O)O)[C@@H](NC(=O)C)CC2=CC=CC=C2
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Detoxin C1 (CHEBI:224271) is a peptide (CHEBI:16670)
IUPAC Name
(3S)-3-[(2S)-2-acetamido-3-phenylpropanoyl]oxy-3-[(2S,3R)-3-acetyloxy-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]propanoic acid
Manual Xref Database
16735772 ChemSpider
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