CHEBI:139733 - bhas#18(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#18(1-)
ChEBI ID CHEBI:139733
Definition Conjugate base of bhas#18
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C17H31O7
Net Charge -1
Average Mass 347.425
Monoisotopic Mass 347.20753
InChI InChI=1S/C17H32O7/c1-11(23-17-15(20)10-14(19)12(2)24-17)7-5-3-4-6-8-13(18)9-16(21)22/h11-15,17-20H,3-10H2,1-2H3,(H,21,22)/p-1/t11-,12+,13-,14-,15-,17-/m1/s1
InChIKey NJSZAOQCCDFSCR-DZGCXMPZSA-M
SMILES C[C@H](CCCCCC[C@@H](O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing bhas#18(1-) (CHEBI:139733) is a organic molecular entity (CHEBI:50860)
bhas#18(1-) (CHEBI:139733) is conjugate base of bhas#18 (CHEBI:79229)
Incoming bhas#18 (CHEBI:79229) is conjugate acid of bhas#18(1-) (CHEBI:139733)