CHEBI:220281 - Gageostatin B

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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 Gageostatin B
ChEBI ID CHEBI:220281
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C53H95N7O14
Net Charge 0
Average Mass 1054.378
Monoisotopic Mass 1053.69370
InChI InChI=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
InChIKey ICQSKMCOEYNHHW-CSCRWWNNSA-N
SMILES O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)CCCCCC(CC(CC)C)C)CCC(=O)O)CC(C)C)CC(C)C)C(C)C)CC(=O)O)CC(C)C)CC(C)C
Metabolite of Species Details
Bacillus (NCBI:txid1386) 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 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
Manual Xref Database
32674767 ChemSpider
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