CHEBI:139762 - bhas#36(1-)

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 bhas#36(1-)
ChEBI ID CHEBI:139762
Definition Conjugate base of bhas#36
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C26H49O7
Net Charge -1
Average Mass 473.664
Monoisotopic Mass 473.34838
InChI InChI=1S/C26H50O7/c1-20(32-26-24(29)19-23(28)21(2)33-26)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22(27)18-25(30)31/h20-24,26-29H,3-19H2,1-2H3,(H,30,31)/p-1/t20-,21+,22-,23-,24-,26-/m1/s1
InChIKey SJIIOKVLMUJXBB-VFRMFGFGSA-M
SMILES C[C@H](CCCCCCCCCCCCCCC[C@@H](O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing bhas#36(1-) (CHEBI:139762) is a organic molecular entity (CHEBI:50860)
bhas#36(1-) (CHEBI:139762) is conjugate base of bhas#36 (CHEBI:79238)
Incoming bhas#36 (CHEBI:79238) is conjugate acid of bhas#36(1-) (CHEBI:139762)