Terminology Service for NFDI4Health
alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-Glcp
Go to external page
http://purl.obolibrary.org/obo/CHEBI_72444
A linear amino pentasaccharide consisting of a chain of three alpha-sialyl residues, a beta-D-galactosyl residue and a beta-D-glucose residue linked sequentially (2->8), (2->8), (2->3) and (1->4).
Term info
Label
alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-Glcp
Synonyms
- 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
Subsets
3_STAR
IUPAC NAME
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
[
IUPAC
]
charge
0
formula
C45H73N3O35
has obo namespace
chebi_ontology
has related synonym
Neu5Aca2-8Neu5Aca2-8Neu5Aca2-3Galb1-4Glcb, Neu5Acalpha2-8Neu5Acalpha2-8Neu5Acalpha2-3Galbeta1-4Glcbeta, alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc, N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucose
id
CHEBI:72444
inchi
InChI=1S/C45H73N3O35/c1-12(54)46-23-15(57)4-43(40(69)70,80-34(23)26(61)18(60)7-49)78-20(9-51)28(63)35-24(47-13(2)55)16(58)5-44(81-35,41(71)72)79-21(10-52)29(64)36-25(48-14(3)56)17(59)6-45(82-36,42(73)74)83-37-27(62)19(8-50)76-39(32(37)67)77-33-22(11-53)75-38(68)31(66)30(33)65/h15-39,49-53,57-68H,4-11H2,1-3H3,(H,46,54)(H,47,55)(H,48,56)(H,69,70)(H,71,72)(H,73,74)/t15-,16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37-,38+,39-,43+,44+,45-/m0/s1
inchikey
BNBYYQKSOHNRMH-SRIZXVEOSA-N
mass
1216.06020
monoisotopicmass
1215.40246
smiles
[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H](CO)[C@@H](O)[C@]1([H])O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H](CO)[C@@H](O)[C@]1([H])O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@@H]1O)C(O)=O)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO