(Q27124690)

thromboxane A2 anion (English)

6 October 2016

chemical formula

C₂₀H₃₁O₅⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCC(C=CC1C(C2CC(O2)O1)CC=CCCCC(=O)[O-])O

1 reference

thromboxane A2 anion (English)

6 October 2016

isomeric SMILES

CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@@H]2C[C@@H](O2)O1)C/C=C\CCCC(=O)[O-])O

1 reference

thromboxane A2 anion (English)

InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/p-1/b7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1

6 October 2016

Identifiers

InChI

1 reference

thromboxane A2 anion (English)

DSNBHJFQCNUKMA-SCKDECHMSA-M

6 October 2016

InChIKey

2 references

thromboxane A2 anion (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5Z,9alpha,11alpha,13E,15S)-9,11-Epoxy-15-hydroxythromboxa-5,13-dien-1-oate (English)

6 October 2016

2 references

thromboxane A2 anion (English)

matched by identifier from

6 October 2016

InChIKey

DSNBHJFQCNUKMA-SCKDECHMSA-M

ChEBI ID

57445

mapping relation type

2 references

thromboxane A2(1-) (English)

matched by identifier from

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/p-1/b7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1

1 reference

2 references

https://www.swisslipids.org/#/downloads