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CHEBI:198434 - (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid

ChEBI IDCHEBI:198434
ChEBI Name(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H52N6O9
Net Charge0
Average Mass652.790
Monoisotopic Mass652.37958
SMILESCC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C
InChIInChI=1S/C31H52N6O9/c1-16(2)15-20(34-28(42)24(32)17(3)4)29(43)36-13-7-10-22(36)27(41)35-25(18(5)6)30(44)37-14-8-9-21(37)26(40)33-19(31(45)46)11-12-23(38)39/h16-22,24-25H,7-15,32H2,1-6H3,(H,33,40)(H,34,42)(H,35,41)(H,38,39)(H,45,46)/t19-,20-,21-,22-,24-,25-/m0/s1
InChIKeyLCNRNDRZNJKVNQ-BKWLFHPQSA-N
Species of MetaboliteComponentSourceComments
Pseudoalteromonas haloplanktis (ncbitaxon:228) - PubMed (15988629)
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)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid (CHEBI:198434) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid
Manual XrefsDatabases
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