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CHEBI:225855 - MBJ-0173

ChEBI IDCHEBI:225855
ChEBI NameMBJ-0173
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H62N10O8
Net Charge0
Average Mass859.042
Monoisotopic Mass858.47521
SMILESC/C=C(\NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CC(C)C)NC(C)=O)C(=O)N[C@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C44H62N10O8/c1-7-31(38(56)54-37(43(61)62)23-29-24-48-32-17-12-11-16-30(29)32)50-42(60)36(22-28-14-9-8-10-15-28)53-41(59)35(21-26(4)5)52-39(57)33(18-13-19-47-44(45)46)51-40(58)34(20-25(2)3)49-27(6)55/h7-12,14-17,24-26,33-37,48H,13,18-23H2,1-6H3,(H,49,55)(H,50,60)(H,51,58)(H,52,57)(H,53,59)(H,54,56)(H,61,62)(H4,45,46,47)/b31-7-/t33-,34-,35-,36+,37-/m1/s1
InChIKeyFNLWZPVZZIMJBT-DILHQCOESA-N
Species of MetaboliteComponentSourceComments
Mortierella (ncbitaxon:4855) - PubMed (27624401)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
MBJ-0173 (CHEBI:225855) is a peptide (CHEBI:16670)
IUPAC Name 
(2R)-2-[[(Z)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]but-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Manual XrefsDatabases
78441953ChemSpider