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CHEBI:226518 - Cuidadopeptide

ChEBI IDCHEBI:226518
ChEBI NameCuidadopeptide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC64H103N11O14
Net Charge0
Average Mass1250.591
Monoisotopic Mass1249.76860
SMILESCCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O
InChIInChI=1S/C64H103N11O14/c1-5-6-7-8-9-10-11-12-13-14-21-32-54(78)68-48(34-36-55(79)80)58(82)69-47(31-23-25-38-66)60(84)75-56(43(4)76)63(87)71-46(30-22-24-37-65)57(81)72-50(39-42(2)3)61(85)70-49(33-35-53(67)77)59(83)73-51(40-44-26-17-15-18-27-44)62(86)74-52(64(88)89)41-45-28-19-16-20-29-45/h15-20,26-29,42-43,46-52,56,76H,5-14,21-25,30-41,65-66H2,1-4H3,(H2,67,77)(H,68,78)(H,69,82)(H,70,85)(H,71,87)(H,72,81)(H,73,83)(H,74,86)(H,75,84)(H,79,80)(H,88,89)/t43-,46+,47-,48-,49-,50-,51-,52+,56-/m1/s1
InChIKeyRPECNBDHMXXSGD-XGTHRXMFSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus (ncbitaxon:626) - 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)
Cuidadopeptide (CHEBI:226518) is a peptide (CHEBI:16670)
IUPAC Name 
(4R)-5-[[(2R)-6-amino-1-[[(2R,3R)-1-[[(2S)-6-amino-1-[[(2R)-1-[[(2R)-5-amino-1-[[(2R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxo-4-(tetradecanoylamino)pentanoic acid