(Q27144324)

tetranor-TXB1 (English)

8 October 2016

chemical formula

C₁₆H₂₈O₆

1 reference

tetranor-TXB1 (English)

8 October 2016

canonical SMILES

CCCCCC(C=CC1C(C(CC(O1)O)O)CCC(=O)O)O

1 reference

tetranor-TXB1 (English)

8 October 2016

isomeric SMILES

CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC(O1)O)O)CCC(=O)O)O

1 reference

tetranor-TXB1 (English)

InChI=1S/C16H28O6/c1-2-3-4-5-11(17)6-8-14-12(7-9-15(19)20)13(18)10-16(21)22-14/h6,8,11-14,16-18,21H,2-5,7,9-10H2,1H3,(H,19,20)/b8-6+/t11-,12-,13-,14+,16?/m0/s1

8 October 2016

Identifiers

InChI

1 reference

tetranor-TXB1 (English)

AXWSHCHWXXNNKN-GIGVETMCSA-N

8 October 2016

InChIKey

2 references

tetranor-TXB1 (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5R)-4-(2-Carboxyethyl)-2,4-dideoxy-5-[(1E,3S)-3-hydroxy-1-octen-1-yl]-D-erythro-pentopyranose (English)

8 October 2016

2 references

tetranor-TXB1 (English)

matched by identifier from

8 October 2016

InChIKey

AXWSHCHWXXNNKN-GIGVETMCSA-N

ChEBI ID

74003

mapping relation type

2 references

2,3,4,5-tetranor-thromboxane B1 (English)

matched by identifier from

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C16H28O6/c1-2-3-4-5-11(17)6-8-14-12(7-9-15(19)20)13(18)10-16(21)22-14/h6,8,11-14,16-18,21H,2-5,7,9-10H2,1H3,(H,19,20)/b8-6+/t11-,12-,13-,14+,16?/m0/s1

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download