5-PAHSA(1-) (Q27157082)

5-(palmitoyloxy)octadecanoate (English)

9 October 2016

chemical formula

C₃₄H₆₅O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(=O)[O-]

1 reference

5-(palmitoyloxy)octadecanoate (English)

InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31-34(37)38-32(29-27-30-33(35)36)28-25-23-21-19-17-14-12-10-8-6-4-2/h32H,3-31H2,1-2H3,(H,35,36)/p-1

9 October 2016

Identifiers

InChI

1 reference

5-(palmitoyloxy)octadecanoate (English)

QBGKCWKQYJQHJX-UHFFFAOYSA-M

9 October 2016

InChIKey

2 references

5-(palmitoyloxy)octadecanoate (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

5-(Palmitoyloxy)octadecanoate (English)

9 October 2016

1 reference

5-(palmitoyloxy)octadecanoate (English)

9 October 2016

ChEBI ID

83672

mapping relation type

2 references

5-PAHSA(1-) (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31-34(37)38-32(29-27-30-33(35)36)28-25-23-21-19-17-14-12-10-8-6-4-2/h32H,3-31H2,1-2H3,(H,35,36)/p-1

1 reference

2 references

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