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CHEBI:215394 - Glycinocin C

ChEBI IDCHEBI:215394
ChEBI NameGlycinocin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H86N12O19
Net Charge0
Average Mass1219.358
Monoisotopic Mass1218.61322
SMILESCCC(C)[C@@H]1NC(=O)[C@@H](C(C)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)C2CCCCN2C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)/C=C/CCCCCCCC(C)C)CNC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C55H86N12O19/c1-6-31(4)46-55(86)67-22-16-19-38(67)51(82)56-26-36(63-50(81)35(25-45(77)78)60-39(69)20-13-11-9-7-8-10-12-17-30(2)3)54(85)66-21-15-14-18-37(66)52(83)59-28-41(71)62-33(23-43(73)74)48(79)57-27-40(70)61-34(24-44(75)76)49(80)58-29-42(72)64-47(32(5)68)53(84)65-46/h13,20,30-38,46-47,68H,6-12,14-19,21-29H2,1-5H3,(H,56,82)(H,57,79)(H,58,80)(H,59,83)(H,60,69)(H,61,70)(H,62,71)(H,63,81)(H,64,72)(H,65,84)(H,73,74)(H,75,76)(H,77,78)/b20-13+/t31?,32?,33-,34-,35-,36-,37?,38-,46-,47+/m0/s1
InChIKeyUIUDQWQRIAWKRJ-PILXTHSMSA-N
Species of MetaboliteComponentSourceComments
Actinomycesspecies (ncbitaxon:29317) - PubMed (12931866)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Glycinocin C (CHEBI:215394) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S)-4-[[(3S,7S,13S,16R,22S,28S)-13-butan-2-yl-22,28-bis(carboxymethyl)-16-(1-hydroxyethyl)-2,6,12,15,18,21,24,27,30,33-decaoxo-1,5,11,14,17,20,23,26,29,32-decazatricyclo[32.4.0.07,11]octatriacontan-3-yl]amino]-3-[[(E)-11-methyldodec-2-enoyl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
78445526ChemSpider