(Q105379285)

English

Locillomycin A

group of stereoisomers with the chemical formula C₅₂H₇₉N₁₁O₁₈

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Statements

group of stereoisomers

0 references

biogenic cyclopeptide

1 reference

biogenic cyclopeptide

1,145.560454688 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₂H₇₉N₁₁O₁₈

0 references

canonical SMILES

CCCCCCCCCCCCC(=O)NC1C(=O)NC(CCC(N)=O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(Cc2ccc(O)cc2)C(=O)NC(C(C)C)C(=O)OC1C

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isomeric SMILES

CCCCCCCCCCCCC(=O)N[C@@H]1C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)OC1C

0 references

Bacillus subtilis

2 references

Unusual Biosynthesis and Structure of Locillomycins from Bacillus subtilis 916

Nonribosomal peptide synthase gene clusters for lipopeptide biosynthesis in Bacillus subtilis 916 and their phenotypic functions

Identifiers

InChI=1S/C52H79N11O18/c1-5-6-7-8-9-10-11-12-13-14-15-39(67)62-45-29(4)81-52(80)44(28(2)3)63-50(78)33(22-30-16-18-31(64)19-17-30)57-40(68)26-55-47(75)36(25-43(72)73)61-49(77)34(23-38(54)66)58-41(69)27-56-46(74)35(24-42(70)71)60-48(76)32(59-51(45)79)20-21-37(53)65/h16-19,28-29,32-36,44-45,64H,5-15,20-27H2,1-4H3,(H2,53,65)(H2,54,66)(H,55,75)(H,56,74)(H,57,68)(H,58,69)(H,59,79)(H,60,76)(H,61,77)(H,62,67)(H,63,78)(H,70,71)(H,72,73)/t29?,32-,33+,34+,35+,36+,44+,45+/m1/s1

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ZLZLLLUTODJKJA-LQKZRONDSA-N

0 references

2 references

15 September 2022

matched by identifier from

ZLZLLLUTODJKJA-LQKZRONDSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C52H79N11O18/c1-5-6-7-8-9-10-11-12-13-14-15-39(67)62-45-29(4)81-52(80)44(28(2)3)63-50(78)33(22-30-16-18-31(64)19-17-30)57-40(68)26-55-47(75)36(25-43(72)73)61-49(77)34(23-38(54)66)58-41(69)27-56-46(74)35(24-42(70)71)60-48(76)32(59-51(45)79)20-21-37(53)65/h16-19,28-29,32-36,44-45,64H,5-15,20-27H2,1-4H3,(H2,53,65)(H2,54,66)(H,55,75)(H,56,74)(H,57,68)(H,58,69)(H,59,79)(H,60,76)(H,61,77)(H,62,67)(H,63,78)(H,70,71)(H,72,73)/t29?,32-,33+,34+,35+,36+,44+,45+/m1/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

ZLZLLLUTODJKJA-LQKZRONDSA-N

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