EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:149274 - [(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6S)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[2-aminoethoxy(hydroxy)phosphoryl]oxy-4-hydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 2-aminoethyl hydrogen phosphate

ChEBI IDCHEBI:149274
ChEBI Name[(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6S)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[2-aminoethoxy(hydroxy)phosphoryl]oxy-4-hydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 2-aminoethyl hydrogen phosphate
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC42H78N4O36P2
Net Charge0
Average Mass1277.026
Monoisotopic Mass1276.38710
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](OP(=O)(O)OCCN)[C@@H](O[C@H]3[C@H](O)[C@@H](N)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](COP(=O)(O)OCCN)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/5,6,5/[a2122h-1a_1-5_2*N][a1122h-1a_1-5_2*OP^XOCCN/3O/3=O][a2112h-1b_1-5_2*NCC/3=O][a1122h-1a_1-5][a1122h-1a_1-5_6*OP^XOCCN/3O/3=O]/1-2-3-4-5-4/a4-b1_b4-c1_b6-d1_d2-e1_e2-f1
InChIInChI=1S/C42H78N4O36P2/c1-12(51)46-20-26(57)21(52)13(6-47)73-38(20)78-33-18(77-42(36(31(33)62)82-84(66,67)70-5-3-44)79-32-16(9-50)72-37(63)19(45)25(32)56)10-68-40-34(28(59)23(54)15(8-49)75-40)81-41-35(80-39-30(61)27(58)22(53)14(7-48)74-39)29(60)24(55)17(76-41)11-71-83(64,65)69-4-2-43/h13-42,47-50,52-63H,2-11,43-45H2,1H3,(H,46,51)(H,64,65)(H,66,67)/t13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-,25-,26-,27+,28+,29+,30+,31+,32-,33-,34+,35+,36+,37+,38+,39-,40+,41-,42-/m1/s1
InChIKeyZKPAFNZNFCKCGO-JVLXPCNYSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6S)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[2-aminoethoxy(hydroxy)phosphoryl]oxy-4-hydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 2-aminoethyl hydrogen phosphate (CHEBI:149274) is a oligosaccharide phosphate (CHEBI:16916)
Manual XrefsDatabases
G32586BAGlyTouCan
G32586BAGlyGen