(Q83121739)

English

Histargin

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

alkaloid

0 references

mass

355.19680228 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₄H₂₅N₇O₄

0 references

canonical SMILES

O=C(O)C(NCCNC(C(=O)O)CCCNC(=N)N)CC1=CN=CN1

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isomeric SMILES

N=C(N)NCCC[C@H](NCCN[C@@H](Cc1cnc[nH]1)C(=O)O)C(=O)O

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found in taxon

Streptomyces roseoviridis

2 references

stated in

Histargin, a new inhibitor of carboxypeptidase B, produced by actinomycetes

stated in

The structure of histargin

Identifiers

InChI

InChI=1S/C14H25N7O4/c15-14(16)20-3-1-2-10(12(22)23)18-4-5-19-11(13(24)25)6-9-7-17-8-21-9/h7-8,10-11,18-19H,1-6H2,(H,17,21)(H,22,23)(H,24,25)(H4,15,16,20)/t10-,11-/m0/s1

0 references

InChIKey

LLPMPMKLOHAIMY-QWRGUYRKSA-N

0 references

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LLPMPMKLOHAIMY-QWRGUYRKSA-N

ChEBI ID

222773

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C14H25N7O4/c15-14(16)20-3-1-2-10(12(22)23)18-4-5-19-11(13(24)25)6-9-7-17-8-21-9/h7-8,10-11,18-19H,1-6H2,(H,17,21)(H,22,23)(H,24,25)(H4,15,16,20)/t10-,11-/m0/s1

1 reference

1 reference

matched by identifier from

InChIKey

LLPMPMKLOHAIMY-QWRGUYRKSA-N

DSSTOX compound identifier

DTXCID80161880

0 references

Natural Product Atlas ID

NPA020906

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

LLPMPMKLOHAIMY-QWRGUYRKSA-N

(Q83121739)

Histargin

Statements

Identifiers

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