CHEBI:167601 - α-D-Abe-(1→3)-α-L-Rha2OAc-(1→2)-α-D-Man-(1→2)-α-D-Man-(1→3)-α-D-Gal-ditrans,octacis-undecaprenyl diphosphate(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name α-D-Abe-(1→3)-α-L-Rha2OAc-(1→2)-α-D-Man-(1→2)-α-D-Man-(1→3)-α-D-Gal-ditrans,octacis-undecaprenyl diphosphate(2−)
ChEBI ID CHEBI:167601
ChEBI ASCII Name alpha-D-Abe-(1->3)-alpha-L-Rha2OAc-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Gal-ditrans,octacis-undecaprenyl diphosphate(2-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C87H142O30P2
Net Charge -2
Average Mass 1730.012
Monoisotopic Mass 1728.90721
InChI InChI=1S/C87H144O30P2/c1-52(2)26-16-27-53(3)28-17-29-54(4)30-18-31-55(5)32-19-33-56(6)34-20-35-57(7)36-21-37-58(8)38-22-39-59(9)40-23-41-60(10)42-24-43-61(11)44-25-45-62(12)46-47-105-118(101,102)117-119(103,104)116-84-77(100)78(74(97)70(51-90)109-84)112-85-80(75(98)72(95)68(49-88)110-85)114-86-81(76(99)73(96)69(50-89)111-86)115-87-82(108-65(15)91)79(71(94)64(14)107-87)113-83-67(93)48-66(92)63(13)106-83/h26,28,30,32,34,36,38,40,42,44,46,63-64,66-90,92-100H,16-25,27,29,31,33,35,37,39,41,43,45,47-51H2,1-15H3,(H,101,102)(H,103,104)/p-2/b53-28+,54-30+,55-32-,56-34-,57-36-,58-38-,59-40-,60-42-,61-44-,62-46-/t63-,64+,66-,67-,68-,69-,70-,71+,72-,73-,74+,75+,76+,77-,78+,79-,80+,81+,82-,83-,84-,85-,86-,87+/m1/s1
InChIKey DIOSJYAHXQXREE-JPDDABNASA-L
SMILES O(P(OP(O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O[C@@H]5[C@@H](C[C@H]([C@H](O5)C)O)O)OC(=O)C)O)([O-])=O)([O-])=O)C/C=C(/C)\CC/C=C(/C)\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)/C)/C
ChEBI Ontology
Outgoing α-D-Abe-(1→3)-α-L-Rha2OAc-(1→2)-α-D-Man-(1→2)-α-D-Man-(1→3)-α-D-Gal-ditrans,octacis-undecaprenyl diphosphate(2−) (CHEBI:167601) is a organophosphate oxoanion (CHEBI:58945)
Synonyms Sources
α-D-Abe-(1→3)-α-L-Rha2OAc-(1→2)-α-D-Man-(1→2)-α-D-Man-(1→3)-α-D-Gal-di-trans,octa-cis-undecaprenyl diphosphate UniProt
α-D-abequopyranosyl-(1→3)-2-O-acetyl-α-L-rhamnopyranosyl-(1→2)-α-D-mannosyl-(1→2)-α-D-mannosyl-(1→3)-α-D-galactopyranosyl-ditrans,octacis-undecaprenyl diphosphate SUBMITTER
Manual Xref Database
CPD-23734 MetaCyc accession
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