20-hydroxylipoxin B4(1-) (Q27162668)

20-Hydroxy-lipoxin B4 (English)

9 October 2016

chemical formula

C₂₀H₃₁O₆⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C(CCC(C(C=CC=CC=CC=CC(CCCC(=O)[O-])O)O)O)CCO

1 reference

20-Hydroxy-lipoxin B4 (English)

9 October 2016

isomeric SMILES

C(CC[C@@H]([C@@H](/C=C/C=C/C=C\C=C\[C@H](CCCC(=O)[O-])O)O)O)CCO

1 reference

20-Hydroxy-lipoxin B4 (English)

InChI=1S/C20H32O6/c21-16-9-5-8-14-19(24)18(23)13-7-4-2-1-3-6-11-17(22)12-10-15-20(25)26/h1-4,6-7,11,13,17-19,21-24H,5,8-10,12,14-16H2,(H,25,26)/p-1/b3-1-,4-2+,11-6+,13-7+/t17-,18-,19+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

20-Hydroxy-lipoxin B4 (English)

ZOMUODAIBQTYLE-CFQAQKEBSA-M

9 October 2016

InChIKey

2 references

20-Hydroxy-lipoxin B4 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

20-Hydroxy-lipoxin B4 (English)

matched by identifier from

9 October 2016

InChIKey

ZOMUODAIBQTYLE-CFQAQKEBSA-M

ChEBI ID

90711

mapping relation type

2 references

20-hydroxylipoxin B4(1-) (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H32O6/c21-16-9-5-8-14-19(24)18(23)13-7-4-2-1-3-6-11-17(22)12-10-15-20(25)26/h1-4,6-7,11,13,17-19,21-24H,5,8-10,12,14-16H2,(H,25,26)/p-1/b3-1-,4-2+,11-6+,13-7+/t17-,18-,19+/m1/s1

1 reference

2 references

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