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CHEBI:199998 - Gageostatin C

ChEBI IDCHEBI:199998
ChEBI NameGageostatin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H89N7O13
Net Charge0
Average Mass1008.309
Monoisotopic Mass1007.65184
SMILESCCC(C)CC(C)CCC/C=C/C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C
InChIInChI=1S/C51H89N7O13/c1-14-33(12)26-34(13)18-16-15-17-19-41(59)52-35(20-21-42(60)61)45(64)53-36(22-28(2)3)46(65)55-38(24-30(6)7)49(68)58-44(32(10)11)50(69)56-39(27-43(62)63)48(67)54-37(23-29(4)5)47(66)57-40(51(70)71)25-31(8)9/h17,19,28-40,44H,14-16,18,20-27H2,1-13H3,(H,52,59)(H,53,64)(H,54,67)(H,55,65)(H,56,69)(H,57,66)(H,58,68)(H,60,61)(H,62,63)(H,70,71)/b19-17+/t33?,34?,35-,36-,37-,38-,39-,40-,44+/m0/s1
InChIKeyDJCAXLUEINVQRO-XSUFEKRWSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (24492520)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Gageostatin C (CHEBI:199998) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(E)-7,9-dimethylundec-2-enoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
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