CHEBI:139750 - bhas#28(1-)

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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#28(1-)
ChEBI ID CHEBI:139750
Definition Conjugate base of bhas#28
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C22H41O7
Net Charge -1
Average Mass 417.558
Monoisotopic Mass 417.28578
InChI InChI=1S/C22H42O7/c1-16(28-22-20(25)15-19(24)17(2)29-22)12-10-8-6-4-3-5-7-9-11-13-18(23)14-21(26)27/h16-20,22-25H,3-15H2,1-2H3,(H,26,27)/p-1/t16-,17+,18-,19-,20-,22-/m1/s1
InChIKey QQIOQZRDFXAPQI-IGKFWFGWSA-M
SMILES C[C@H](CCCCCCCCCCC[C@@H](O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing bhas#28(1-) (CHEBI:139750) is a organic molecular entity (CHEBI:50860)
bhas#28(1-) (CHEBI:139750) is conjugate base of bhas#28 (CHEBI:79234)
Incoming bhas#28 (CHEBI:79234) is conjugate acid of bhas#28(1-) (CHEBI:139750)