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CHEBI:203846 - Glycinocin D

ChEBI IDCHEBI:203846
ChEBI NameGlycinocin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H86N12O19
Net Charge0
Average Mass1219.358
Monoisotopic Mass1218.61322
SMILESCC(C)CCCCCCCC/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=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)C2CCCCN2C1=O
InChIInChI=1S/C55H86N12O19/c1-30(2)17-12-10-8-6-7-9-11-13-20-39(69)60-35(25-45(77)78)50(81)63-36-26-56-51(82)38-19-16-22-67(38)55(86)46(31(3)4)65-53(84)47(32(5)68)64-42(72)29-58-49(80)34(24-44(75)76)61-40(70)27-57-48(79)33(23-43(73)74)62-41(71)28-59-52(83)37-18-14-15-21-66(37)54(36)85/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+/t32?,33-,34-,35-,36-,37?,38-,46-,47+/m0/s1
InChIKeyQXFRJGDMWUVSSK-AXLPBGQTSA-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 D (CHEBI:203846) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S)-4-[[(3S,7S,13S,16R,22S,28S)-22,28-bis(carboxymethyl)-16-(1-hydroxyethyl)-2,6,12,15,18,21,24,27,30,33-decaoxo-13-propan-2-yl-1,5,11,14,17,20,23,26,29,32-decazatricyclo[32.4.0.07,11]octatriacontan-3-yl]amino]-3-[[(E)-12-methyltridec-2-enoyl]amino]-4-oxobutanoic acid
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