CHEBI:139889 - bkas#38(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 bkas#38(1-)
ChEBI ID CHEBI:139889
Definition Conjugate base of bkas#38
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C27H49O7
Net Charge -1
Average Mass 485.675
Monoisotopic Mass 485.34838
InChI InChI=1S/C27H50O7/c1-21(33-27-25(30)20-24(29)22(2)34-27)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23(28)19-26(31)32/h21-22,24-25,27,29-30H,3-20H2,1-2H3,(H,31,32)/p-1/t21-,22+,24-,25-,27-/m1/s1
InChIKey NJKRNAJKXVWNFU-OPYPCFFTSA-M
SMILES C[C@H](CCCCCCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing bkas#38(1-) (CHEBI:139889) is a organic molecular entity (CHEBI:50860)