CHEBI:151315 - Heparinsodiumsalt

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 Heparinsodiumsalt
ChEBI ID CHEBI:151315
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C12H21NO20S3
Net Charge 0
Average Mass 595.470
Monoisotopic Mass 594.98191
InChI InChI=1S/C12H21NO20S3/c14-4-3(13-34(20,21)22)11(19)30-2(1-29-35(23,24)25)7(4)31-12-9(33-36(26,27)28)6(16)5(15)8(32-12)10(17)18/h2-9,11-16,19H,1H2,(H,17,18)(H,20,21,22)(H,23,24,25)(H,26,27,28)/t2-,3-,4-,5+,6+,7-,8-,9-,11+,12-/m1/s1
InChIKey OHJKXVLJWUPWQG-PNRHKHKDSA-N
SMILES S(O)(=O)(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@H](O[C@@H]1O)COS(O)(=O)=O
ChEBI Ontology
Outgoing Heparinsodiumsalt (CHEBI:151315) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms Sources
2-O-sulfo-alpha-L-ido-hexopyranosyluronic acid-(1->4)-2-deoxy-6-O-sulfo-2-sulfoamino-alpha-D-gluco-hexopyranose SUBMITTER
IdoA2S(a1-4)a-GlcNS6S SUBMITTER
WURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NSO/3=O/3=O_6*OSO/3=O/3=O][a2121A-1a_1-5_2*OSO/3=O/3=O]/1-2/a4-b1 SUBMITTER
Manual Xrefs Databases
G55525GN GlyGen
G55525GN GlyTouCan
View more database links