CHEBI:139888 - bkas#38

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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
ChEBI ID CHEBI:139888
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C27H50O7
Net Charge 0
Average Mass 486.683
Monoisotopic Mass 486.35565
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)/t21-,22+,24-,25-,27-/m1/s1
InChIKey NJKRNAJKXVWNFU-OPYPCFFTSA-N
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 (CHEBI:139888) is a organic molecular entity (CHEBI:50860)