(Q105329289)

English

Cerecidin A1

group of stereoisomers with the chemical formula C₉₂H₁₅₈N₂₂O₂₂S₂

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No description defined

Statements

group of stereoisomers

0 references

biogenic cyclopeptide

1 reference

biogenic cyclopeptide

1,987.136246696 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₉₂H₁₅₈N₂₂O₂₂S₂

0 references

canonical SMILES

CC=C(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C1CSCCC(N)C(=O)NC(=CC)C(=O)N2CCCC2C(=O)NC(CC(C)C)C(=O)N1)C(C)C)C(C)C)C(C)CC)C(C)CC)C(=O)NC(C(=O)NC1CSCC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(C(C)CC)NC(=O)C(CCCCN)NC(=O)C(C(C)CC)NC1=O)C(C)O

0 references

isomeric SMILES

C/C=C(\NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C1CSCCC(N)C(=O)N/C(=C\C)C(=O)N2CCCC2C(=O)NC(CC(C)C)C(=O)N1)C(C)C)C(C)C)C(C)CC)C(C)CC)C(=O)NC(C(=O)NC1CSCC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(C(C)CC)NC(=O)C(CCCCN)NC(=O)C(C(C)CC)NC1=O)C(C)O

1 reference

based on heuristic

inferred from InChI

Bacillus cereus

1 reference

Cerecidins, novel lantibiotics from Bacillus cereus with potent antimicrobial activity

Identifiers

InChI=1S/C92H158N22O22S2/c1-20-50(15)70(111-89(132)73(53(18)23-4)112-86(129)69(49(13)14)107-67(117)42-96-84(127)68(48(11)12)108-81(124)62-43-137-38-34-55(95)75(118)100-57(25-6)91(134)114-37-30-33-65(114)83(126)103-61(40-47(9)10)79(122)104-62)85(128)97-41-66(116)98-60(39-46(7)8)78(121)99-56(24-5)76(119)113-74(54(19)115)90(133)106-64-45-138-44-63(80(123)102-59(92(135)136)32-27-29-36-94)105-88(131)72(52(17)22-3)109-77(120)58(31-26-28-35-93)101-87(130)71(51(16)21-2)110-82(64)125/h24-25,46-55,58-65,68-74,115H,20-23,26-45,93-95H2,1-19H3,(H,96,127)(H,97,128)(H,98,116)(H,99,121)(H,100,118)(H,101,130)(H,102,123)(H,103,126)(H,104,122)(H,105,131)(H,106,133)(H,107,117)(H,108,124)(H,109,120)(H,110,125)(H,111,132)(H,112,129)(H,113,119)(H,135,136)/b56-24-,57-25-

0 references

XJXGYVMWZXJPMO-KYFHGMFFSA-N

0 references

2 references

15 September 2022

matched by identifier from

XJXGYVMWZXJPMO-KYFHGMFFSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C92H158N22O22S2/c1-20-50(15)70(111-89(132)73(53(18)23-4)112-86(129)69(49(13)14)107-67(117)42-96-84(127)68(48(11)12)108-81(124)62-43-137-38-34-55(95)75(118)100-57(25-6)91(134)114-37-30-33-65(114)83(126)103-61(40-47(9)10)79(122)104-62)85(128)97-41-66(116)98-60(39-46(7)8)78(121)99-56(24-5)76(119)113-74(54(19)115)90(133)106-64-45-138-44-63(80(123)102-59(92(135)136)32-27-29-36-94)105-88(131)72(52(17)22-3)109-77(120)58(31-26-28-35-93)101-87(130)71(51(16)21-2)110-82(64)125/h24-25,46-55,58-65,68-74,115H,20-23,26-45,93-95H2,1-19H3,(H,96,127)(H,97,128)(H,98,116)(H,99,121)(H,100,118)(H,101,130)(H,102,123)(H,103,126)(H,104,122)(H,105,131)(H,106,133)(H,107,117)(H,108,124)(H,109,120)(H,110,125)(H,111,132)(H,112,129)(H,113,119)(H,135,136)/b56-24-,57-25-

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

XJXGYVMWZXJPMO-KYFHGMFFSA-N

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