(Q106045409)

English

alamethicin F50

chemical compound

(8E,10E,12E)-3,5,7-trihydroxyoctadeca-8,10,12-trienal

In more languages

default values for all languages

No label defined

No description defined

Statements

type of chemical entity

0 references

chemical compound

0 references

1,962.1302327119988 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Ac-Aib-Pro-Aib-D-Ala-Aib-Ala-Gln-Aib-Val-Aib-Gly-Leu-Aib-Pro-D-Val-Aib-Aib-Gln-Gln-Phe-ol

1 reference

based on heuristic

inferred from InChI

Alamethicin F-50

1 reference

based on heuristic

inferred from InChI

chemical formula

C₉₂H₁₅₁N₂₃O₂₄

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(O)=NC(C)(C)C(=O)N1CCCC1C(O)=NC(C)(C)C(O)=NC(C)C(O)=NC(C)(C)C(O)=NC(C)C(O)=NC(CCC(=N)O)C(O)=NC(C)(C)C(O)=NC(C(O)=NC(C)(C)C(O)=NCC(O)=NC(CC(C)C)C(O)=NC(C)(C)C(=O)N1CCCC1C(O)=NC(C(O)=NC(C)(C)C(O)=NC(C)(C)C(O)=NC(CCC(=N)O)C(O)=NC(CCC(=N)O)C(O)=NC(CO)Cc1ccccc1)C(C)C)C(C)C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)NC(C)(C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CO)Cc1ccccc1)C(C)C)C(C)C

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C92H151N23O24/c1-47(2)43-58(72(127)109-92(24,25)84(139)114-41-29-33-59(114)73(128)104-65(48(3)4)75(130)112-90(20,21)82(137)113-89(18,19)80(135)103-56(36-39-62(94)119)70(125)102-55(35-38-61(93)118)69(124)99-54(46-116)44-53-31-27-26-28-32-53)100-64(121)45-96-77(132)85(10,11)111-76(131)66(49(5)6)105-81(136)88(16,17)108-71(126)57(37-40-63(95)120)101-67(122)50(7)97-78(133)86(12,13)107-68(123)51(8)98-79(134)87(14,15)110-74(129)60-34-30-42-115(60)83(138)91(22,23)106-52(9)117/h26-28,31-32,47-51,54-60,65-66,116H,29-30,33-46H2,1-25H3,(H2,93,118)(H2,94,119)(H2,95,120)(H,96,132)(H,97,133)(H,98,134)(H,99,124)(H,100,121)(H,101,122)(H,102,125)(H,103,135)(H,104,128)(H,105,136)(H,106,117)(H,107,123)(H,108,126)(H,109,127)(H,110,129)(H,111,131)(H,112,130)(H,113,137)/t50-,51-,54-,55+,56+,57-,58-,59-,60-,65-,66-/m0/s1

1 reference

ChEBI release 2021-03-01

YPZSDWIWYLTCKG-NQYXTXNHSA-N

1 reference

ChEBI release 2021-03-01

2 references

ChEBI release 2021-03-01

matched by identifier from

YPZSDWIWYLTCKG-NQYXTXNHSA-N

mapping relation type

2 references

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C92H151N23O24/c1-47(2)43-58(72(127)109-92(24,25)84(139)114-41-29-33-59(114)73(128)104-65(48(3)4)75(130)112-90(20,21)82(137)113-89(18,19)80(135)103-56(36-39-62(94)119)70(125)102-55(35-38-61(93)118)69(124)99-54(46-116)44-53-31-27-26-28-32-53)100-64(121)45-96-77(132)85(10,11)111-76(131)66(49(5)6)105-81(136)88(16,17)108-71(126)57(37-40-63(95)120)101-67(122)50(7)97-78(133)86(12,13)107-68(123)51(8)98-79(134)87(14,15)110-74(129)60-34-30-42-115(60)83(138)91(22,23)106-52(9)117/h26-28,31-32,47-51,54-60,65-66,116H,29-30,33-46H2,1-25H3,(H2,93,118)(H2,94,119)(H2,95,120)(H,96,132)(H,97,133)(H,98,134)(H,99,124)(H,100,121)(H,101,122)(H,102,125)(H,103,135)(H,104,128)(H,105,136)(H,106,117)(H,107,123)(H,108,126)(H,109,127)(H,110,129)(H,111,131)(H,112,130)(H,113,137)/t50-,51-,54-,55+,56+,57-,58-,59-,60-,65-,66-/m0/s1

UniChem compound ID

1 reference

Probes And Drugs ID

0 references

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