CHEBI:68611 - eritoran(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name eritoran(4−)
ChEBI ID CHEBI:68611
ChEBI ASCII Name eritoran(4-)
Definition An organophosphate oxoanion that is the tetraanion obtained by the deprotonation of all the phosphate OH groups of eritoran.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C66H122N2O19P2
Net Charge -4
Average Mass 1309.62440
Monoisotopic Mass 1308.81390
InChI InChI=1S/C66H126N2O19P2/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-57(70)67-60-64(82-49-47-54(80-6)45-41-36-18-14-10-4)62(86-88(73,74)75)56(51-79-5)85-65(60)83-52-55-61(72)63(81-48-43-39-35-24-21-17-13-9-3)59(66(84-55)87-89(76,77)78)68-58(71)50-53(69)44-40-37-33-31-23-20-16-12-8-2/h25-26,54-56,59-66,72H,7-24,27-52H2,1-6H3,(H,67,70)(H,68,71)(H2,73,74,75)(H2,76,77,78)/p-4/b26-25-/t54-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-/m1/s1
InChIKey BPSMYQFMCXXNPC-MFCPCZTFSA-J
SMILES CCCCCCCCCCCC(=O)CC(=O)N[C@H]1[C@H](O[C@H](CO[C@@H]2O[C@H](COC)[C@@H](OP([O-])([O-])=O)[C@H](OCC[C@@H](CCCCCCC)OC)[C@H]2NC(=O)CCCCCCCCC\C=C/CCCCCC)[C@@H](O)[C@@H]1OCCCCCCCCCC)OP([O-])([O-])=O
ChEBI Ontology
Outgoing eritoran(4−) (CHEBI:68611) is a organophosphate oxoanion (CHEBI:58945)
eritoran(4−) (CHEBI:68611) is conjugate base of eritoran (CHEBI:68609)
Incoming eritoran tetrasodium (CHEBI:46692) has part eritoran(4−) (CHEBI:68611)
eritoran (CHEBI:68609) is conjugate acid of eritoran(4−) (CHEBI:68611)
IUPAC Name
3-O-decyl-2-deoxy-6-O-{2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[(11Z)-octadec-11-enoylamino]-4-O-phosphonato-β-D-glucopyranosyl}-2-[(3-oxotetradecanoyl)amino]-1-O-phosphonato-α-D-glucopyranose
Last Modified
04 October 2012