CHEBI:139630 - ascr#15(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 ascr#15(1-)
ChEBI ID CHEBI:139630
Definition Conjugate base of ascr#15
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C16H27O6
Net Charge -1
Average Mass 315.383
Monoisotopic Mass 315.18131
InChI InChI=1S/C16H28O6/c1-11(8-6-4-3-5-7-9-15(19)20)21-16-14(18)10-13(17)12(2)22-16/h7,9,11-14,16-18H,3-6,8,10H2,1-2H3,(H,19,20)/p-1/b9-7+/t11-,12+,13-,14-,16-/m1/s1
InChIKey MZJGOAYSXTVLMG-NSKGPKHTSA-M
SMILES C[C@H](CCCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing ascr#15(1-) (CHEBI:139630) is a organic molecular entity (CHEBI:50860)
ascr#15(1-) (CHEBI:139630) is conjugate base of ascr#15 (CHEBI:78852)
Incoming ascr#15 (CHEBI:78852) is conjugate acid of ascr#15(1-) (CHEBI:139630)