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CHEBI:217636 - MBJ-0032

ChEBI IDCHEBI:217636
ChEBI NameMBJ-0032
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H44N4O7
Net Charge0
Average Mass608.736
Monoisotopic Mass608.32100
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CCC(=O)N[C@@H](Cc1cncn1C)C(=O)O)C3=O
InChIInChI=1S/C33H44N4O7/c1-18-6-7-25-31(2,3)26(39)8-10-32(25,4)33(18)14-21-24(38)13-20-22(28(21)44-33)16-37(29(20)41)11-9-27(40)35-23(30(42)43)12-19-15-34-17-36(19)5/h13,15,17-18,23,25-26,38-39H,6-12,14,16H2,1-5H3,(H,35,40)(H,42,43)/t18-,23+,25+,26-,32+,33-/m1/s1
InChIKeyFHYNHKWMAAREAQ-FJUCFMPSSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (32338185)
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-0032 (CHEBI:217636) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[3-[(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]propanoylamino]-3-(3-methylimidazol-4-yl)propanoic acid