(Q104246544)

English

12,12-Dideoxydecarbamoylsaxitoxin

chemical compound

In more languages

Statements

type of chemical entity

0 references

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224.138559132 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₉H₁₆N₆O

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canonical SMILES

N=C1NC2C(NC(=N)N3CCCC32N1)CO

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isomeric SMILES

N=C1N[C@H]2[C@H](CO)NC(=N)N3CCC[C@]23N1

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Cylindrospermopsis raciborskii

1 reference

Biosynthetic intermediate analysis and functional homology reveal a saxitoxin gene cluster in cyanobacteria

Dolichospermum circinale

1 reference

Re-evaluation of paralytic shellfish toxin profiles in cyanobacteria using hydrophilic interaction liquid chromatography-tandem mass spectrometry

Raphidiopsis raciborskii

1 reference

Biosynthetic intermediate analysis and functional homology reveal a saxitoxin gene cluster in cyanobacteria

Identifiers

InChI=1S/C9H16N6O/c10-7-13-6-5(4-16)12-8(11)15-3-1-2-9(6,15)14-7/h5-6,16H,1-4H2,(H2,11,12)(H3,10,13,14)/t5-,6-,9+/m0/s1

0 references

JFYZIJPKLXIKLJ-ATVXKPNKSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C9H16N6O/c10-7-13-6-5(4-16)12-8(11)15-3-1-2-9(6,15)14-7/h5-6,16H,1-4H2,(H2,11,12)(H3,10,13,14)/t5-,6-,9+/m0/s1

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID001335569

1 reference

matched by identifier from

JFYZIJPKLXIKLJ-ATVXKPNKSA-N

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

JFYZIJPKLXIKLJ-ATVXKPNKSA-N

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