Surfactin B1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H91N7O13
Molecular Weight	1022.318
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1

InChI

InChIKey=DDULCZLFAKVKJB-JIXKVBNCSA-N

InChI=1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C52H91N7O13
Molecular Weight	1022.318
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:05:57 GMT 2025` Edited by `admin` on `Wed Apr 02 21:05:57 GMT 2025`
Record UNII	JK78Y9DQ7Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

iso-C14-surfactin

Preferred Name

English

Surfactin B1

Common Name

English

Cyclo(L-?-aspartyl-D-leucyl-L-leucyl-3-hydroxy-12-methyltridecanoyl-L-?-glutamyl-L-leucyl-D-leucyl-L-valyl)

Systematic Name

English

Code System Code Type Description

FDA UNII

JK78Y9DQ7Z