exiguamine A (Q27122170)

Exiguamine A (English)

6 October 2016

chemical formula

C₂₅H₂₆N₅O₆⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CN1C(=O)C2(C3=C(C4=C5CC[N+](C5=CC(=C4O2)O)(C)C)C(=O)C6=C(C3=O)C(=CN6)CCN)N(C1=O)C

1 reference

Exiguamine A (English)

6 October 2016

isomeric SMILES

CN1C(=O)[C@]2(C3=C(C4=C5CC[N+](C5=CC(=C4O2)O)(C)C)C(=O)C6=C(C3=O)C(=CN6)CCN)N(C1=O)C

1 reference

Exiguamine A (English)

InChI=1S/C25H25N5O6/c1-28-23(34)25(29(2)24(28)35)18-17(21(33)19-15(20(18)32)11(5-7-26)10-27-19)16-12-6-8-30(3,4)13(12)9-14(31)22(16)36-25/h9-10H,5-8,26H2,1-4H3,(H-,27,31,32,33)/p+1/t25-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

Exiguamine A (English)

UEKKREMMIOJMRO-RUZDIDTESA-O

6 October 2016

InChIKey

2 references

Exiguamine A (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Exiguamine A (English)

6 October 2016

2 references

Exiguamine A (English)

matched by identifier from

6 October 2016

InChIKey

UEKKREMMIOJMRO-RUZDIDTESA-O

Reaxys registry number

10747312

1 reference

exiguamine A (English)

6 October 2016

ChEBI ID

50655

mapping relation type

2 references

exiguamine A (English)

matched by identifier from

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C25H25N5O6/c1-28-23(34)25(29(2)24(28)35)18-17(21(33)19-15(20(18)32)11(5-7-26)10-27-19)16-12-6-8-30(3,4)13(12)9-14(31)22(16)36-25/h9-10H,5-8,26H2,1-4H3,(H-,27,31,32,33)/p+1/t25-/m1/s1

1 reference