(Q105254013)

English

Pseudomonas beta ferritin

group of stereoisomers with the chemical formula C₅₂H₇₇N₁₃O₁₆S

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Statements

group of stereoisomers

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chemical compound

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1,171.533194384 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₂H₇₇N₁₃O₁₆S

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canonical SMILES

CCC(C)C(NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(N)CCSC)C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C=O)Cc1ccc(O)cc1

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Pseudomonas aeruginosa

1 reference

Fungal ferritins: the ferritin from mycelia of Absidia spinosa is a bacterioferritin

Identifiers

InChI=1S/C52H77N13O16S/c1-6-28(4)44(51(80)62-36(22-42(72)73)48(77)58-31(25-66)20-29-9-11-32(67)12-10-29)64-50(79)43(27(2)3)63-47(76)35(14-16-41(70)71)61-49(78)38-8-7-18-65(38)52(81)37(21-30-23-55-26-57-30)59-40(69)24-56-46(75)34(13-15-39(54)68)60-45(74)33(53)17-19-82-5/h9-12,23,25-28,31,33-38,43-44,67H,6-8,13-22,24,53H2,1-5H3,(H2,54,68)(H,55,57)(H,56,75)(H,58,77)(H,59,69)(H,60,74)(H,61,78)(H,62,80)(H,63,76)(H,64,79)(H,70,71)(H,72,73)

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SISUIWQKEBULAB-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

SISUIWQKEBULAB-UHFFFAOYSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C52H77N13O16S/c1-6-28(4)44(51(80)62-36(22-42(72)73)48(77)58-31(25-66)20-29-9-11-32(67)12-10-29)64-50(79)43(27(2)3)63-47(76)35(14-16-41(70)71)61-49(78)38-8-7-18-65(38)52(81)37(21-30-23-55-26-57-30)59-40(69)24-56-46(75)34(13-15-39(54)68)60-45(74)33(53)17-19-82-5/h9-12,23,25-28,31,33-38,43-44,67H,6-8,13-22,24,53H2,1-5H3,(H2,54,68)(H,55,57)(H,56,75)(H,58,77)(H,59,69)(H,60,74)(H,61,78)(H,62,80)(H,63,76)(H,64,79)(H,70,71)(H,72,73)

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

SISUIWQKEBULAB-UHFFFAOYSA-N

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