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CHEBI:220281 - Gageostatin B

ChEBI IDCHEBI:220281
ChEBI NameGageostatin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H95N7O14
Net Charge0
Average Mass1054.378
Monoisotopic Mass1053.69370
SMILESCCC(C)CC(C)CCCCC[C@@H](O)CC(=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/C53H95N7O14/c1-14-34(12)26-35(13)18-16-15-17-19-36(61)27-43(62)54-37(20-21-44(63)64)47(67)55-38(22-29(2)3)48(68)57-40(24-31(6)7)51(71)60-46(33(10)11)52(72)58-41(28-45(65)66)50(70)56-39(23-30(4)5)49(69)59-42(53(73)74)25-32(8)9/h29-42,46,61H,14-28H2,1-13H3,(H,54,62)(H,55,67)(H,56,70)(H,57,68)(H,58,72)(H,59,69)(H,60,71)(H,63,64)(H,65,66)(H,73,74)/t34?,35?,36-,37+,38+,39+,40+,41+,42+,46-/m1/s1
InChIKeyICQSKMCOEYNHHW-CSCRWWNNSA-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 B (CHEBI:220281) 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-[[(3R)-3-hydroxy-9,11-dimethyltridecanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
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