(Q105204225)

English

(8S,9Z)-heptadec-9-en-4,6-diyne-1,8-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

heptadec-9-en-4,6-diyne-1,8-diol

1 reference

based on heuristic

inferred from SMILES

mass

262.193280072 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₆O₂

0 references

canonical SMILES

OCCCC#CC#CC(O)C=CCCCCCCC

0 references

isomeric SMILES

CCCCCCC/C=C\[C@H](O)C#CC#CCCCO

0 references

found in taxon

Cicuta virosa

2 references

stated in

Exploring the structural basis of neurotoxicity in C(17)-polyacetylenes isolated from water hemlock

stated in

Polyacetylenes from water hemlock, Cicuta virosa.

Identifiers

InChI

InChI=1S/C17H26O2/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18/h11,14,17-19H,2-6,8,10,13,16H2,1H3/b14-11-/t17-/m0/s1

0 references

InChIKey

OZXJUTMPBYVTKB-IFCKCIONSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OZXJUTMPBYVTKB-IFCKCIONSA-N

ChEBI ID

138869

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C17H26O2/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18/h11,14,17-19H,2-6,8,10,13,16H2,1H3/b14-11-/t17-/m0/s1

1 reference

1 reference

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

retrieved

15 January 2022

InChIKey

OZXJUTMPBYVTKB-IFCKCIONSA-N

(Q105204225)

(8S,9Z)-heptadec-9-en-4,6-diyne-1,8-diol

Statements

Identifiers

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