EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201919 - Gavibamycin B3

ChEBI IDCHEBI:201919
ChEBI NameGavibamycin B3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H90O32
Net Charge0
Average Mass1323.348
Monoisotopic Mass1322.54152
SMILESCOCC1OC(OC2OCC3OC4(OC3C2OC(=O)C(C)C)OC(C)C(O)(C(C)O)C2OCOC24)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2CC3(C)OC4(CC(O)C(OC5CC(O)C(OC(=O)c6c(C)cc(O)cc6O)C(C)O5)C(C)O4)OC3C(C)O2)C1O
WURCSWURCS=2.0/5,5,4/[axxxxh-1x_1-5_2*OC_6*OC][axxxh-1x_1-5_3-4*OC^XO*/3C^XC^XC^XC^XO$3/9C/8C^XC/12O/8O/7OCO$6_2*OCCC/4C/3=O][axxxxm-1x_1-5_4*OC][adXxxm-1x_1-5_3*C][adxxxm-1x_1-5_4*OC(CCCCCC$4/9)O(/7)O(/5)C/3=O]/1-2-3-4-5/d3n2-d4n2-e1n1*1OC^XC^XOC^XO*2/6O*2/6CC^X$3/12O/4C_a1-b1_a4-c1_c3-d1
InChIInChI=1S/C60H90O32/c1-22(2)52(68)84-48-45-35(89-60(90-45)51-50(75-21-76-51)59(70,28(8)61)29(9)88-60)20-74-55(48)86-56-47(73-13)39(66)44(34(80-56)19-71-11)85-54-40(67)46(43(72-12)25(5)79-54)82-37-18-57(10)49(27(7)78-37)91-58(92-57)17-33(65)42(26(6)87-58)81-36-16-32(64)41(24(4)77-36)83-53(69)38-23(3)14-30(62)15-31(38)63/h14-15,22,24-29,32-37,39-51,54-56,61-67,70H,16-21H2,1-13H3
InChIKeyWHNUDCPAAPIIST-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (11410376)
ChEBI Ontology
Outgoing Relation(s)
Gavibamycin B3 (CHEBI:201919) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
[4-hydroxy-6-[4'-hydroxy-6-[3-hydroxy-2-[4-hydroxy-6-[7'-hydroxy-7'-(1-hydroxyethyl)-6'-methyl-7-(2-methylpropanoyloxy)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-5-methoxy-6-methyloxan-4-yl]oxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-2-methyloxan-3-yl] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
78443635ChemSpider