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CHEBI:213273 - Pseudodesmin C

ChEBI IDCHEBI:213273
ChEBI NamePseudodesmin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H98N10O16
Net Charge0
Average Mass1143.432
Monoisotopic Mass1142.71623
SMILESCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)O
InChIInChI=1S/C54H98N10O16/c1-13-15-16-17-18-19-34(68)25-42(70)56-36(22-28(3)4)47(72)57-35(20-21-41(55)69)46(71)64-45(33(12)67)53(78)62-43(31(9)10)52(77)59-38(24-30(7)8)49(74)60-39(26-65)50(75)58-37(23-29(5)6)48(73)61-40(27-66)51(76)63-44(54(79)80)32(11)14-2/h28-40,43-45,65-68H,13-27H2,1-12H3,(H2,55,69)(H,56,70)(H,57,72)(H,58,75)(H,59,77)(H,60,74)(H,61,73)(H,62,78)(H,63,76)(H,64,71)(H,79,80)/t32-,33+,34+,35+,36-,37-,38+,39+,40+,43+,44-,45+/m0/s1
InChIKeyJEPCIKXNEFNAJI-YCDXGENYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas tolaasii (ncbitaxon:29442) - PubMed (32868430)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pseudodesmin C (CHEBI:213273) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R,3R)-2-[[(2R)-5-amino-2-[[(2S)-2-[[(3R)-3-hydroxydecanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoic acid