(Q105298551)

English

VXKUKGSGMZZTDI-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₅₆H₉₈N₁₆O₁₄

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Statements

instance of

group of stereoisomers

0 references

subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

1,218.744841816 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₆H₉₈N₁₆O₁₄

0 references

canonical SMILES

CCC(C)CCC(O)CC(=O)NC(CCN)C(=O)NC(C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC1=O)C(C)O

0 references

found in taxon

Paenibacillus polymyxa

1 reference

stated in

Isolation and structural characterization of polymyxin B components

Identifiers

InChI

InChI=1S/C56H98N16O14/c1-7-31(4)13-14-35(75)29-44(76)63-36(15-21-57)51(81)72-46(33(6)74)56(86)68-39(18-24-60)48(78)67-41-20-26-62-55(85)45(32(5)73)71-52(82)40(19-25-61)65-47(77)37(16-22-58)66-53(83)42(27-30(2)3)69-54(84)43(28-34-11-9-8-10-12-34)70-49(79)38(17-23-59)64-50(41)80/h8-12,30-33,35-43,45-46,73-75H,7,13-29,57-61H2,1-6H3,(H,62,85)(H,63,76)(H,64,80)(H,65,77)(H,66,83)(H,67,78)(H,68,86)(H,69,84)(H,70,79)(H,71,82)(H,72,81)

0 references

InChIKey

VXKUKGSGMZZTDI-UHFFFAOYSA-N

0 references

2 references

15 September 2022

matched by identifier from

InChIKey

VXKUKGSGMZZTDI-UHFFFAOYSA-N

ChEBI ID

209565

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C56H98N16O14/c1-7-31(4)13-14-35(75)29-44(76)63-36(15-21-57)51(81)72-46(33(6)74)56(86)68-39(18-24-60)48(78)67-41-20-26-62-55(85)45(32(5)73)71-52(82)40(19-25-61)65-47(77)37(16-22-58)66-53(83)42(27-30(2)3)69-54(84)43(28-34-11-9-8-10-12-34)70-49(79)38(17-23-59)64-50(41)80/h8-12,30-33,35-43,45-46,73-75H,7,13-29,57-61H2,1-6H3,(H,62,85)(H,63,76)(H,64,80)(H,65,77)(H,66,83)(H,67,78)(H,68,86)(H,69,84)(H,70,79)(H,71,82)(H,72,81)

1 reference

Natural Product Atlas ID

NPA018392

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VXKUKGSGMZZTDI-UHFFFAOYSA-N

(Q105298551)

VXKUKGSGMZZTDI-UHFFFAOYSA-N

Statements

Identifiers

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