(Q105275577)

English

Syringopeptin 25A

group of stereoisomers with the chemical formula C₁₁₃H₁₈₃N₂₇O₃₀

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Statements

group of stereoisomers

0 references

biogenic cyclopeptide

1 reference

biogenic cyclopeptide

2,398.362417456 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₁₃H₁₈₃N₂₇O₃₀

0 references

canonical SMILES

CC=C(NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(C)NC(=O)C(C)NC(=O)C(NC(=O)C1CCCN1C(=O)C(=CC)NC(=O)CC(O)CCCCCCC)C(C)C)C(C)C)C(=O)NC(C(=O)NC(=CC)C(=O)NC(C)C(=O)NC(C(=O)NC(C)C(=O)NC(C)C(=O)NC(=CC)C(=O)NC1C(=O)NC(CO)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(CCN)C(=O)NC(CCN)C(=O)NC(Cc2ccc(O)cc2)C(=O)OC1C)C(C)C)C(C)C

0 references

isomeric SMILES

C/C=C(\NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)/C(=C/C)NC(=O)CC(O)CCCCCCC)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N/C(=C\C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N/C(=C\C)C(=O)N[C@@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC1C)C(C)C)C(C)C

0 references

Pseudomonas syringae

2 references

The contribution of syringopeptin and syringomycin to virulence of Pseudomonas syringae pv. syringae strain B301D on the basis of sypA and syrB1 biosynthesis mutant analysis

Syringopeptins, new phytotoxic lipodepsipeptides of Pseudomonas syringae pv. syringae

1 reference

Syringopeptins, new phytotoxic lipodepsipeptides of Pseudomonas syringae pv. syringae

Identifiers

InChI=1S/C113H183N27O30/c1-28-33-34-35-36-38-71(143)51-82(144)125-75(32-5)112(168)140-48-37-39-81(140)105(161)138-85(56(12)13)108(164)123-61(20)91(147)118-65(24)95(151)136-86(57(14)15)110(166)131-78(49-53(6)7)103(159)120-59(18)89(145)116-62(21)92(148)126-73(30-3)99(155)137-87(58(16)17)109(165)128-72(29-2)98(154)119-66(25)96(152)134-83(54(8)9)106(162)122-60(19)90(146)117-63(22)93(149)127-74(31-4)100(156)139-88-68(27)170-113(169)79(50-69-40-42-70(142)43-41-69)132-102(158)77(45-47-115)130-101(157)76(44-46-114)129-94(150)64(23)124-107(163)84(55(10)11)135-97(153)67(26)121-104(160)80(52-141)133-111(88)167/h29-32,40-43,53-68,71,76-81,83-88,141-143H,28,33-39,44-52,114-115H2,1-27H3,(H,116,145)(H,117,146)(H,118,147)(H,119,154)(H,120,159)(H,121,160)(H,122,162)(H,123,164)(H,124,163)(H,125,144)(H,126,148)(H,127,149)(H,128,165)(H,129,150)(H,130,157)(H,131,166)(H,132,158)(H,133,167)(H,134,152)(H,135,153)(H,136,151)(H,137,155)(H,138,161)(H,139,156)/b72-29-,73-30-,74-31-,75-32-/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68?,71?,76-,77-,78-,79-,80-,81-,83-,84-,85-,86-,87-,88-/m0/s1

0 references

UMIOOXCZNZIVGY-KALDKNCFSA-N

0 references

2 references

15 September 2022

matched by identifier from

UMIOOXCZNZIVGY-KALDKNCFSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C113H183N27O30/c1-28-33-34-35-36-38-71(143)51-82(144)125-75(32-5)112(168)140-48-37-39-81(140)105(161)138-85(56(12)13)108(164)123-61(20)91(147)118-65(24)95(151)136-86(57(14)15)110(166)131-78(49-53(6)7)103(159)120-59(18)89(145)116-62(21)92(148)126-73(30-3)99(155)137-87(58(16)17)109(165)128-72(29-2)98(154)119-66(25)96(152)134-83(54(8)9)106(162)122-60(19)90(146)117-63(22)93(149)127-74(31-4)100(156)139-88-68(27)170-113(169)79(50-69-40-42-70(142)43-41-69)132-102(158)77(45-47-115)130-101(157)76(44-46-114)129-94(150)64(23)124-107(163)84(55(10)11)135-97(153)67(26)121-104(160)80(52-141)133-111(88)167/h29-32,40-43,53-68,71,76-81,83-88,141-143H,28,33-39,44-52,114-115H2,1-27H3,(H,116,145)(H,117,146)(H,118,147)(H,119,154)(H,120,159)(H,121,160)(H,122,162)(H,123,164)(H,124,163)(H,125,144)(H,126,148)(H,127,149)(H,128,165)(H,129,150)(H,130,157)(H,131,166)(H,132,158)(H,133,167)(H,134,152)(H,135,153)(H,136,151)(H,137,155)(H,138,161)(H,139,156)/b72-29-,73-30-,74-31-,75-32-/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68?,71?,76-,77-,78-,79-,80-,81-,83-,84-,85-,86-,87-,88-/m0/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

UMIOOXCZNZIVGY-KALDKNCFSA-N

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