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CHEBI:217611 - (2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

ChEBI IDCHEBI:217611
ChEBI Name(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H37N5O7
Net Charge0
Average Mass519.599
Monoisotopic Mass519.26930
SMILESCC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C25H37N5O7/c1-14(2)12-19(24(35)30-11-3-4-20(30)25(36)37)29-23(34)18(9-10-21(27)32)28-22(33)17(26)13-15-5-7-16(31)8-6-15/h5-8,14,17-20,31H,3-4,9-13,26H2,1-2H3,(H2,27,32)(H,28,33)(H,29,34)(H,36,37)/t17-,18-,19-,20-/m0/s1
InChIKeyZODVQAQTYNSMAA-MUGJNUQGSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (29474977)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid (CHEBI:217611) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
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