EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211378 - Rakicidin I

ChEBI IDCHEBI:211378
ChEBI NameRakicidin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H56N4O7
Net Charge0
Average Mass620.832
Monoisotopic Mass620.41490
SMILESC=C1C=CC(=O)N(C)CC(=O)N[C@@H](C(O)C(N)=O)C(=O)O[C@@H](C(C)CCCCCCCCCCCCCCC)[C@H](C)C(=O)N1
InChIInChI=1S/C33H56N4O7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(2)30-25(4)32(42)35-24(3)20-21-27(39)37(5)22-26(38)36-28(33(43)44-30)29(40)31(34)41/h20-21,23,25,28-30,40H,3,6-19,22H2,1-2,4-5H3,(H2,34,41)(H,35,42)(H,36,38)/t23?,25-,28-,29?,30-/m0/s1
InChIKeyNLGSLKQAXDHJJO-IUTSIRGWSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - DOI (10.1016/j.tet.2018.06.039)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Rakicidin I (CHEBI:211378) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[(3S,14S,15S)-15-heptadecan-2-yl-7,14-dimethyl-11-methylidene-2,5,8,13-tetraoxo-1-oxa-4,7,12-triazacyclopentadec-9-en-3-yl]-2-hydroxyacetamide