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CHEBI:226503 - Silalthride

ChEBI IDCHEBI:226503
ChEBI NameSilalthride
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H89N11O14
Net Charge0
Average Mass1092.347
Monoisotopic Mass1091.65905
SMILESCC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C52H89N11O14/c1-28(2)24-37(46(70)57-35(20-21-41(66)67)44(68)58-36(52(76)77)19-13-15-23-54)59-48(72)39(26-30(5)6)62-51(75)43(32(8)65)63-45(69)34(18-12-14-22-53)56-49(73)40(27-33-16-10-9-11-17-33)60-47(71)38(25-29(3)4)61-50(74)42(55)31(7)64/h9-11,16-17,28-32,34-40,42-43,64-65H,12-15,18-27,53-55H2,1-8H3,(H,56,73)(H,57,70)(H,58,68)(H,59,72)(H,60,71)(H,61,74)(H,62,75)(H,63,69)(H,66,67)(H,76,77)/t31-,32-,34-,35+,36+,37-,38-,39+,40+,42-,43-/m1/s1
InChIKeyAAIQEFZBXJTIQR-NYDWXMBXSA-N
Species of MetaboliteComponentSourceComments
Photorhabdus (ncbitaxon:29487) - PubMed (31693786)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Silalthride (CHEBI:226503) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R,3R)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2R,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid