(Q105304103)

English

Locillomycin B

group of stereoisomers with the chemical formula C₅₃H₈₁N₁₁O₁₈

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Statements

group of stereoisomers

0 references

biogenic cyclopeptide

1 reference

biogenic cyclopeptide

1,159.576104752 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₃H₈₁N₁₁O₁₈

0 references

canonical SMILES

CCCCCCCCCCCCCC(=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

CCCCCCCCCCCCCC(=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

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Bacillus subtilis

1 reference

Unusual Biosynthesis and Structure of Locillomycins from Bacillus subtilis 916

Identifiers

InChI=1S/C53H81N11O18/c1-5-6-7-8-9-10-11-12-13-14-15-16-40(68)63-46-30(4)82-53(81)45(29(2)3)64-51(79)34(23-31-17-19-32(65)20-18-31)58-41(69)27-56-48(76)37(26-44(73)74)62-50(78)35(24-39(55)67)59-42(70)28-57-47(75)36(25-43(71)72)61-49(77)33(60-52(46)80)21-22-38(54)66/h17-20,29-30,33-37,45-46,65H,5-16,21-28H2,1-4H3,(H2,54,66)(H2,55,67)(H,56,76)(H,57,75)(H,58,69)(H,59,70)(H,60,80)(H,61,77)(H,62,78)(H,63,68)(H,64,79)(H,71,72)(H,73,74)/t30?,33-,34+,35+,36+,37+,45+,46+/m1/s1

0 references

WFOPIRXUIQRPQI-JWGLGNDASA-N

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2 references

15 September 2022

matched by identifier from

WFOPIRXUIQRPQI-JWGLGNDASA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C53H81N11O18/c1-5-6-7-8-9-10-11-12-13-14-15-16-40(68)63-46-30(4)82-53(81)45(29(2)3)64-51(79)34(23-31-17-19-32(65)20-18-31)58-41(69)27-56-48(76)37(26-44(73)74)62-50(78)35(24-39(55)67)59-42(70)28-57-47(75)36(25-43(71)72)61-49(77)33(60-52(46)80)21-22-38(54)66/h17-20,29-30,33-37,45-46,65H,5-16,21-28H2,1-4H3,(H2,54,66)(H2,55,67)(H,56,76)(H,57,75)(H,58,69)(H,59,70)(H,60,80)(H,61,77)(H,62,78)(H,63,68)(H,64,79)(H,71,72)(H,73,74)/t30?,33-,34+,35+,36+,37+,45+,46+/m1/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

WFOPIRXUIQRPQI-JWGLGNDASA-N

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