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CHEBI:201128 - Glycinocin B

ChEBI IDCHEBI:201128
ChEBI NameGlycinocin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H92N12O19
Net Charge0
Average Mass1261.439
Monoisotopic Mass1260.66017
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/CCCCCCCCCCC(C)C)CNC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C58H92N12O19/c1-6-34(4)49-58(89)70-25-19-22-41(70)54(85)59-29-39(66-53(84)38(28-48(80)81)63-42(72)23-16-14-12-10-8-7-9-11-13-15-20-33(2)3)57(88)69-24-18-17-21-40(69)55(86)62-31-44(74)65-36(26-46(76)77)51(82)60-30-43(73)64-37(27-47(78)79)52(83)61-32-45(75)67-50(35(5)71)56(87)68-49/h16,23,33-41,49-50,71H,6-15,17-22,24-32H2,1-5H3,(H,59,85)(H,60,82)(H,61,83)(H,62,86)(H,63,72)(H,64,73)(H,65,74)(H,66,84)(H,67,75)(H,68,87)(H,76,77)(H,78,79)(H,80,81)/b23-16+/t34?,35?,36-,37-,38-,39-,40?,41-,49-,50+/m0/s1
InChIKeyNYKOFOHQRGHCFZ-ONHLGXEGSA-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 B (CHEBI:201128) 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)-14-methylpentadec-2-enoyl]amino]-4-oxobutanoic acid
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