EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225987 - Pargamicin D

ChEBI IDCHEBI:225987
ChEBI NamePargamicin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H50N8O10
Net Charge0
Average Mass730.820
Monoisotopic Mass730.36499
SMILESCCC(C)C1C(=O)N2NCC(=O)C[C@@H]2C(=O)N(C)[C@@H](C(C)(C)O)C(=O)N2NC[C@H](O)C[C@@H]2C(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)C(=O)N1O
InChIInChI=1S/C34H50N8O10/c1-7-19(2)27-32(49)40-25(15-22(44)16-35-40)31(48)39(6)28(34(3,4)51)33(50)41-24(14-21(43)17-36-41)30(47)38(5)18-26(45)37-23(29(46)42(27)52)13-20-11-9-8-10-12-20/h8-12,19,21,23-25,27-28,35-36,43,51-52H,7,13-18H2,1-6H3,(H,37,45)/t19?,21-,23-,24-,25-,27?,28-/m1/s1
InChIKeyHHSJRQQEIYFSGU-KTLWYVFCSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (28293037)
ChEBI Ontology
Outgoing Relation(s)
Pargamicin D (CHEBI:225987) is a azamacrocycle (CHEBI:52898)
Pargamicin D (CHEBI:225987) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(3S,6R,16R,22R,24R)-16-benzyl-13-butan-2-yl-14,24-dihydroxy-3-(2-hydroxypropan-2-yl)-4,20-dimethyl-1,4,10,11,14,17,20,26-octazatricyclo[20.4.0.06,11]hexacosane-2,5,8,12,15,18,21-heptone
Manual XrefsDatabases
78438788ChemSpider