EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:217055 - Mirilactam C

ChEBI IDCHEBI:217055
ChEBI NameMirilactam C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H37NO6
Net Charge0
Average Mass471.594
Monoisotopic Mass471.26209
SMILESCC1=C[C@@H]2[C@H]3[C@@H]4[C@@H](O)C[C@@H](C)N4C(=O)[C@@H]3C=C[C@@H]2/C=C/C[C@H](O)[C@H](O)[C@H](O)C[C@H](O)/C=C\C=C1
InChIInChI=1S/C27H37NO6/c1-15-6-3-4-8-18(29)14-23(32)26(33)21(30)9-5-7-17-10-11-19-24(20(17)12-15)25-22(31)13-16(2)28(25)27(19)34/h3-8,10-12,16-26,29-33H,9,13-14H2,1-2H3/b6-3?,7-5+,8-4-,15-12?/t16-,17+,18-,19-,20+,21+,22+,23-,24+,25+,26+/m1/s1
InChIKeyDSEKKOLZJYKRED-ZCVMFFBUSA-N
Species of MetaboliteComponentSourceComments
Actinosynnema (ncbitaxon:40566) - PubMed (29863068)
ChEBI Ontology
Outgoing Relation(s)
Mirilactam C (CHEBI:217055) is a azamacrocycle (CHEBI:52898)
Mirilactam C (CHEBI:217055) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(1S,2E,5S,6S,7R,9S,10Z,16R,17R,18R,19S,21R,24R)-5,6,7,9,19-pentahydroxy-14,21-dimethyl-22-azatetracyclo[14.10.0.017,24.018,22]hexacosa-2,10,12,14,25-pentaen-23-one